Nimesulide

CAS Number: 51803-78-2

Molecular Mass: 308.31 g/mol

Formula: C₁₃H₁₂N₂O₅S

Smiles: CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1

Synonymes:

Nimesulide, nimesulide, 51803-78-2, N-(4-Nitro-2-phenoxyphenyl)methanesulfonamide, Aulin, R-805, Nimesulida, 4-NITRO-2-PHENOXYMETHANESULFONANILIDE, Methanesulfonamide, N-(4-nitro-2-phenoxyphenyl)-, Nimesulidum, R 805, 4'-Nitro-2'-phenoxymethanesulfonanilide, DTXSID3037250, NSC-758412, V4TKW1454M, DTXCID1017250, CHEBI:44445, N-(4-nitro-2-(phenoxy)phenyl)methanesulfonamide, N-[4-nitro-2-(phenoxy)phenyl]methanesulfonamide, RefChem:6063, M01AX17, 257-431-4, Mesulid, Flogovital, Sulidene, Nimed, Nisulid, MFCD00079470, 4-Nitro-2-phenoxy-methanesulfonanilide, CHEMBL56367, MLS000069680, Methanesulfonanilide, 4'-nitro-2'-phenoxy-, NCGC00015725-02, SMR000058484, CAS-51803-78-2, M02164, Antifloxil, Guaxan, Nimesulidum [INN-Latin], Nimesulida [INN-Spanish], NIM, Nimesulide [INN:BAN], SR-01000000218, EINECS 257-431-4, 4'-Nitro-2'-phenoxymethansulfonanilid, BRN 2421175, UNII-V4TKW1454M, Aldoron, Nimedex, Orthobid, CCRIS 8225, Nimesulide CRS, Nise Gel, Prestwick_618, Nimesulide (Standard), Spectrum_001577, NIMESULIDE [MI], Nimesulide (JAN/INN), NIMESULIDE [INN], NIMESULIDE [JAN], Opera_ID_1247, Prestwick0_000194, Prestwick1_000194, Prestwick2_000194, Prestwick3_000194, Spectrum2_001541, Spectrum3_001576, Spectrum4_000178, Spectrum5_000964, Lopac-N-1016, N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide, NIMESULIDE [MART.], NIMESULIDE [WHO-DD], Lopac0_000855, SCHEMBL24882, BSPBio_000147, BSPBio_001103, BSPBio_003112, KBioGR_000443, KBioGR_000695, KBioSS_000443, KBioSS_002057, MLS001148268, DivK1c_000693, SPECTRUM1503231, SPBio_001382, SPBio_002068, BPBio1_000163, GTPL7401, NIM-03, Nimesulide - Bio-X trade mark, orb1309658, NIMESULIDE [EP IMPURITY], Nimesulide R&D Working Standard, SCHEMBL29393272, BCBcMAP01_000034, HMS502C15, HY-B0363R, KBio1_000693, KBio2_000443, KBio2_002057, KBio2_003011, KBio2_004625, KBio2_005579, KBio2_007193, KBio3_000825, KBio3_000826, KBio3_002612, NIMESULIDE [EP MONOGRAPH], NINDS_000693, Bio2_000382, Bio2_000862, HMS1362G05, HMS1568H09, HMS1792G05, HMS1922K17, HMS1990G05, HMS2089B14, HMS2095H09, HMS2234K19, HMS3262L11, HMS3269G17, HMS3371J19, HMS3403G05, HMS3414P09, HMS3649A04, HMS3655D13, HMS3678P07, HMS3712H09, HMS3884C22, HMS5080D19, Pharmakon1600-01503231, FDC18022, HY-B0363, MSK10036, Tox21_110207, Tox21_301850, Tox21_500855, 4-Nitro-2-phenoxymethane-sulfonamide, BDBM50056999, CCG-39319, EBC-26568, EI-287, NSC758412, s2040, STL018679, AKOS015897356, Nimesulide for peak identification CRS, Tox21_110207_1, AC-4524, DB04743, FN26223, KS-1277, LP00855, NSC 758412, SDCCGSBI-0050831.P004, IDI1_000693, IDI1_002137, NCGC00015725-01, NCGC00015725-03, NCGC00015725-04, NCGC00015725-05, NCGC00015725-06, NCGC00015725-07, NCGC00015725-08, NCGC00015725-09, NCGC00015725-10, NCGC00015725-11, NCGC00015725-12, NCGC00015725-13, NCGC00015725-15, NCGC00015725-16, NCGC00015725-29, NCGC00021842-03, NCGC00021842-04, NCGC00021842-05, NCGC00021842-06, NCGC00021842-07, NCGC00021842-08, NCGC00255661-01, NCGC00261540-01, BN166246, Nimesulide 100 microg/mL in Acetonitrile, R805, SY108897, N-(4-Nitro-2-Phenoxy)Methanesulfonanilide, SBI-0050831.P003, DB-052029, AB00052332, EU-0100855, N0984, NS00006725, ST51015069, SW196785-3, T1133, (methylsulfonyl)(4-nitro-2-phenoxyphenyl)amine, D01049, D70376, N 1016, n-(4-nitro-2-phenoxyphenyl)methanesulphonamide, Q20994, AB00052332-16, AB00052332_17, AB00052332_18, EN300-7388636, SR-01000000218-2, SR-01000000218-6, SR-01000000218-7, BRD-K76775527-001-06-2, BRD-K76775527-001-18-7, BRD-K76775527-001-28-6, BRD-K76775527-001-29-4, BRD-K76775527-001-30-2, SR-01000000218-11, Nimesulide, European Pharmacopoeia (EP) Reference Standard, Nimesulide, Pharmaceutical Secondary Standard, Certified Reference Material, Nimesulide for peak identification, European Pharmacopoeia (EP) Reference Standard, 1364966-82-4

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Butanol	278.15	-	0.4475	[275]
1-Butanol	283.15	-	0.6154	[275]
1-Butanol	288.15	-	0.8698	[275]
1-Butanol	293.15	-	1.206	[275]
1-Butanol	298.15	-	1.626	[275]
1-Butanol	303.15	-	2.18	[275]
1-Butanol	308.15	-	2.908	[275]
1-Butanol	313.15	-	3.91	[275]
1-Butanol	318.15	-	5.145	[275]
1-Butanol	323.15	-	6.512	[275]
1-Propanol	278.15	-	0.716	[275]
1-Propanol	283.15	-	1.0	[275]
1-Propanol	288.15	-	1.397	[275]
1-Propanol	293.15	-	1.864	[275]
1-Propanol	298.15	-	2.5	[275]
1-Propanol	303.15	-	3.23	[275]
1-Propanol	308.15	-	4.118	[275]
1-Propanol	313.15	-	5.526	[275]
1-Propanol	318.15	-	7.19	[275]
1-Propanol	323.15	-	8.865	[275]
2-Butoxyethanol	278.15	-	10.35	[275]
2-Butoxyethanol	283.15	-	12.09	[275]
2-Butoxyethanol	288.15	-	14.63	[275]
2-Butoxyethanol	293.15	-	16.36	[275]
2-Butoxyethanol	298.15	-	19.36	[275]
2-Butoxyethanol	303.15	-	22.02	[275]
2-Butoxyethanol	308.15	-	25.55	[275]
2-Butoxyethanol	313.15	-	30.44	[275]
2-Butoxyethanol	318.15	-	33.75	[275]
2-Butoxyethanol	323.15	-	38.89	[275]
2-Methoxyethanol	278.15	-	47.05	[275]
2-Methoxyethanol	283.15	-	54.6	[275]
2-Methoxyethanol	288.15	-	62.35	[275]
2-Methoxyethanol	293.15	-	71.86	[275]
2-Methoxyethanol	298.15	-	82.09	[275]
2-Methoxyethanol	303.15	-	93.59	[275]
2-Methoxyethanol	308.15	-	105.5	[275]
2-Methoxyethanol	313.15	-	121.5	[275]
2-Methoxyethanol	318.15	-	138.1	[275]
2-Methoxyethanol	323.15	-	156.1	[275]
Acetone	273.15	-	119.7	[276]
Acetone	278.15	-	136.9	[276]
Acetone	283.15	-	155.7	[276]
Acetone	288.15	-	175.9	[276]
Acetone	293.15	-	197.8	[276]
Acetone	298.15	-	221.2	[276]
Acetone	303.15	-	244.8	[276]
Acetone	308.15	-	270.6	[276]
Acetone	313.15	-	302.0	[276]
Acetone	318.15	-	342.5	[276]
Acetonitrile	273.15	-	43.86	[276]
Acetonitrile	278.15	-	52.35	[276]
Acetonitrile	283.15	-	61.34	[276]
Acetonitrile	288.15	-	71.44	[276]
Acetonitrile	293.15	-	83.3	[276]
Acetonitrile	298.15	-	96.06	[276]
Acetonitrile	303.15	-	109.4	[276]
Acetonitrile	308.15	-	125.1	[276]
Acetonitrile	313.15	-	146.1	[276]
Acetonitrile	318.15	-	173.8	[276]
Butyl acetate	278.15	-	21.47	[275]
Butyl acetate	283.15	-	24.63	[275]
Butyl acetate	288.15	-	28.61	[275]
Butyl acetate	293.15	-	33.32	[275]
Butyl acetate	298.15	-	38.87	[275]
Butyl acetate	303.15	-	44.71	[275]
Butyl acetate	308.15	-	51.25	[275]
Butyl acetate	313.15	-	59.15	[275]
Butyl acetate	318.15	-	68.15	[275]
Butyl acetate	323.15	-	77.58	[275]
Cyclohexanone	273.15	-	58.17	[276]
Cyclohexanone	278.15	-	64.92	[276]
Cyclohexanone	283.15	-	72.17	[276]
Cyclohexanone	288.15	-	79.95	[276]
Cyclohexanone	293.15	-	88.82	[276]
Cyclohexanone	298.15	-	98.32	[276]
Cyclohexanone	303.15	-	109.3	[276]
Cyclohexanone	308.15	-	122.3	[276]
Cyclohexanone	313.15	-	136.4	[276]
Cyclohexanone	318.15	-	151.8	[276]
Ethanol	273.15	-	1.777	[276]
Ethanol	278.15	-	1.553	[275]
Ethanol	278.15	-	2.207	[276]
Ethanol	283.15	-	1.97	[275]
Ethanol	283.15	-	2.705	[276]
Ethanol	288.15	-	2.613	[275]
Ethanol	288.15	-	3.164	[276]
Ethanol	293.15	-	3.4	[275]
Ethanol	293.15	-	3.785	[276]
Ethanol	298.15	-	4.382	[275]
Ethanol	298.15	-	4.638	[276]
Ethanol	303.15	-	5.598	[275]
Ethanol	303.15	-	5.655	[276]
Ethanol	308.15	-	6.977	[275]
Ethanol	308.15	-	7.102	[276]
Ethanol	313.15	-	8.8	[275]
Ethanol	313.15	-	8.924	[276]
Ethanol	318.15	-	10.67	[275]
Ethanol	318.15	-	11.17	[276]
Ethanol	323.15	-	14.29	[275]
Ethyl acetate	273.15	-	46.07	[276]
Ethyl acetate	278.15	-	47.29	[275]
Ethyl acetate	278.15	-	51.63	[276]
Ethyl acetate	283.15	-	52.9	[275]
Ethyl acetate	283.15	-	57.39	[276]
Ethyl acetate	288.15	-	61.14	[275]
Ethyl acetate	288.15	-	63.61	[276]
Ethyl acetate	293.15	-	68.91	[275]
Ethyl acetate	293.15	-	70.85	[276]
Ethyl acetate	298.15	-	77.1	[275]
Ethyl acetate	298.15	-	78.44	[276]
Ethyl acetate	303.15	-	88.53	[275]
Ethyl acetate	303.15	-	86.98	[276]
Ethyl acetate	308.15	-	99.35	[275]
Ethyl acetate	308.15	-	96.43	[276]
Ethyl acetate	313.15	-	110.5	[275]
Ethyl acetate	313.15	-	107.1	[276]
Ethyl acetate	318.15	-	123.3	[275]
Ethyl acetate	318.15	-	120.3	[276]
Ethyl acetate	323.15	-	140.8	[275]
Glycol monoethyl ether	278.15	-	25.53	[275]
Glycol monoethyl ether	283.15	-	29.59	[275]
Glycol monoethyl ether	288.15	-	34.86	[275]
Glycol monoethyl ether	293.15	-	39.82	[275]
Glycol monoethyl ether	298.15	-	45.74	[275]
Glycol monoethyl ether	303.15	-	52.7	[275]
Glycol monoethyl ether	308.15	-	59.35	[275]
Glycol monoethyl ether	313.15	-	69.48	[275]
Glycol monoethyl ether	318.15	-	79.67	[275]
Glycol monoethyl ether	323.15	-	92.12	[275]
Glycol monopropyl ether	278.15	-	15.2	[275]
Glycol monopropyl ether	283.15	-	18.69	[275]
Glycol monopropyl ether	288.15	-	20.44	[275]
Glycol monopropyl ether	293.15	-	24.59	[275]
Glycol monopropyl ether	298.15	-	27.71	[275]
Glycol monopropyl ether	303.15	-	32.19	[275]
Glycol monopropyl ether	308.15	-	36.94	[275]
Glycol monopropyl ether	313.15	-	43.3	[275]
Glycol monopropyl ether	318.15	-	50.04	[275]
Glycol monopropyl ether	323.15	-	56.75	[275]
Isobutanol	273.15	-	0.5514	[276]
Isobutanol	278.15	-	0.7343	[276]
Isobutanol	283.15	-	0.9653	[276]
Isobutanol	288.15	-	1.285	[276]
Isobutanol	293.15	-	1.619	[276]
Isobutanol	298.15	-	1.972	[276]
Isobutanol	303.15	-	2.401	[276]
Isobutanol	308.15	-	2.931	[276]
Isobutanol	313.15	-	3.579	[276]
Isobutanol	318.15	-	4.392	[276]
Isopropanol	273.15	-	0.3456	[276]
Isopropanol	278.15	-	0.5106	[276]
Isopropanol	283.15	-	0.7373	[276]
Isopropanol	288.15	-	1.032	[276]
Isopropanol	293.15	-	1.368	[276]
Isopropanol	298.15	-	1.737	[276]
Isopropanol	303.15	-	2.217	[276]
Isopropanol	308.15	-	2.822	[276]
Isopropanol	313.15	-	3.657	[276]
Isopropanol	318.15	-	4.712	[276]
Methanol	278.15	-	4.667	[275]
Methanol	283.15	-	5.796	[275]
Methanol	288.15	-	7.242	[275]
Methanol	293.15	-	8.976	[275]
Methanol	298.15	-	10.95	[275]
Methanol	303.15	-	13.18	[275]
Methanol	308.15	-	16.14	[275]
Methanol	313.15	-	19.71	[275]
Methanol	318.15	-	23.29	[275]
Methanol	323.15	-	28.08	[275]
Methyl acetate	278.15	-	86.66	[275]
Methyl acetate	283.15	-	94.76	[275]
Methyl acetate	288.15	-	106.4	[275]
Methyl acetate	293.15	-	115.8	[275]
Methyl acetate	298.15	-	130.5	[275]
Methyl acetate	303.15	-	142.1	[275]
Methyl acetate	308.15	-	155.3	[275]
Methyl acetate	313.15	-	168.7	[275]
Methyl acetate	318.15	-	187.1	[275]
Methyl acetate	323.15	-	205.2	[275]
Methyl ethyl ketone	273.15	-	87.11	[276]
Methyl ethyl ketone	278.15	-	96.33	[276]
Methyl ethyl ketone	283.15	-	106.4	[276]
Methyl ethyl ketone	288.15	-	118.8	[276]
Methyl ethyl ketone	293.15	-	132.0	[276]
Methyl ethyl ketone	298.15	-	145.9	[276]
Methyl ethyl ketone	303.15	-	161.3	[276]
Methyl ethyl ketone	308.15	-	180.2	[276]
Methyl ethyl ketone	313.15	-	201.1	[276]
Methyl ethyl ketone	318.15	-	225.1	[276]
Propyl acetate	278.15	-	28.13	[275]
Propyl acetate	283.15	-	33.26	[275]
Propyl acetate	288.15	-	39.01	[275]
Propyl acetate	293.15	-	44.6	[275]
Propyl acetate	298.15	-	51.64	[275]
Propyl acetate	303.15	-	60.41	[275]
Propyl acetate	308.15	-	68.46	[275]
Propyl acetate	313.15	-	78.52	[275]
Propyl acetate	318.15	-	89.28	[275]
Propyl acetate	323.15	-	101.2	[275]
Propylene Glycol	273.15	-	0.1602	[276]
Propylene Glycol	278.15	-	0.2471	[276]
Propylene Glycol	283.15	-	0.3515	[276]
Propylene Glycol	288.15	-	0.4763	[276]
Propylene Glycol	293.15	-	0.6306	[276]
Propylene Glycol	298.15	-	0.8606	[276]
Propylene Glycol	303.15	-	1.157	[276]
Propylene Glycol	308.15	-	1.561	[276]
Propylene Glycol	313.15	-	2.109	[276]
Propylene Glycol	318.15	-	2.791	[276]
Tetrahydrofuran	273.15	-	38.47	[276]
Tetrahydrofuran	278.15	-	44.03	[276]
Tetrahydrofuran	283.15	-	51.16	[276]
Tetrahydrofuran	288.15	-	59.54	[276]
Tetrahydrofuran	293.15	-	69.12	[276]
Tetrahydrofuran	298.15	-	80.42	[276]
Tetrahydrofuran	303.15	-	94.2	[276]
Tetrahydrofuran	308.15	-	107.7	[276]
Tetrahydrofuran	313.15	-	123.0	[276]
Tetrahydrofuran	318.15	-	139.3	[276]
Toluene	273.15	-	0.6725	[276]
Toluene	278.15	-	0.8911	[276]
Toluene	283.15	-	1.139	[276]
Toluene	288.15	-	1.447	[276]
Toluene	293.15	-	1.827	[276]
Toluene	298.15	-	2.265	[276]
Toluene	303.15	-	2.761	[276]
Toluene	308.15	-	3.4	[276]
Toluene	313.15	-	4.15	[276]
Toluene	318.15	-	5.055	[276]

Molecule 3D descriptors

Descriptor	Value
PMI1	1693.7426
PMI2	2223.6764
PMI3	3547.8859
NPR1	0.4774
NPR2	0.6268
RadiusOfGyration	3.4795
InertialShapeFactor	0.0004
Eccentricity	0.8787
Asphericity	0.1964
SpherocityIndex	0.2195
PBF	0.8533