Sulfamethoxazole
CAS Number: 723-46-6
Molecular Mass: 253.28 g/mol
Formula: C10H11N3O3S
Smiles: Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
Synonymes:
Sulfamethoxazole, sulfamethoxazole, 723-46-6, Gantanol, Sulphamethoxazole, Sulfisomezole, Sulfamethoxazol, 4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide, Radonil, Sinomin, Sulfamethylisoxazole, 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide, Sulfamethalazole, Azo-gantanol, Urobak, Sulfamethoxizole, Gantanol-DS, Ro 4-2130, Sulfametoxazol, Gamazole, 3-Sulfanilamido-5-methylisoxazole, Sulfamethoxazolum, 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide, Benzenesulfonamide, 4-amino-N-(5-methyl-3-isoxazolyl)-, 5-Methyl-3-sulfanilamidoisoxazole, MS 53, 3-(p-Aminophenylsulfonamido)-5-methylisoxazole, 3-(para-Aminophenylsulphonamido)-5-methylisoxazole, Sulfanilamide, N1-(5-methyl-3-isoxazolyl)-, Ro-4-2130, DTXSID8026064, STX-608, 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzene-1-sulfonamide, Sulfanilamide, N'-(5-methyl-3-isoxazolyl)-, NSC-147832, CHEBI:9332, JE42381TNV, NSC147832, Sulfanilamide, N(1)-(5-methyl-3-isoxazolyl)-, DTXCID006064, sulfametoxazolo, Suphamethoxazole, RefChem:6502, J01EC01, 211-963-3, 656-929-2, Metoxal, Simsinomin, Sulphamethoxazol, Sulpha-methoxizole, Bactrim, Sulphamethylisoxazole, Sulphisomezole, 3-Sulphanilamido-5-methylisoxazole, 5-Methyl-3-sulphanil-amidoisoxazole, 5-Methyl-3-sulfanylamidoisoxazole, N'-(5-Methyl-3-isoxazolyl)sulfanilamide, N1-(5-Methyl-3-isoxazolyl)sulfanilamide, N'-(5-Methylisoxazol-3-yl)sulphanilamide, Sulfamethoprim, Sulmeprim, SMX, Trimeth/Sulfa, A047, MFCD00010546, N(sup 1)-(5-Methyl-3-isoxazolyl)sulphanilamide, N'-(5-Methyl-3-isoxazole)sulfanilamide, Ro 6-2580/11, 4-Amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide, N(sup 1)-(5-Methyl-3-isoxazolyl)sulfanilamide, CHEMBL443, MLS000069732, Solfametossazolo, N(sup1)-(5-Methyl-3-isoxazolyl)sulfanilamide, 5-Methyl-3-sulfonylamidoisoxazole, 3-(p-Aminobenzenesulfonamido)-5-methylisoxazole, 3-METHYL-1-(4-SULFOAMIDOPHENYL)-5-PYRA&, s1915, 4-Amino-N-(5-methyl-3-isoxazolyl)-benzenesulfonamide, NCGC00016533-05, NCGC00186654-01, CAS-723-46-6, SMR000058223, Solfametossazolo [DCIT], 144930-01-8, [(4-aminophenyl)sulfonyl](5-methylisoxazol-3-yl)amine, Sulfametoxazol [INN-Spanish], Sulfamethoxazolum [INN-Latin], CCRIS 567, Sulfamethoxazole CRS, HSDB 3186, SR-01000000217, EINECS 211-963-3, NSC 147832, BRN 0226453, ulfamethoxazole, UNII-JE42381TNV, Sulfamethoxazole, 4-Amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide, Sulfamethoxazole RS, 08D, Prestwick_453, ALBB-002089, Sulfamethoxazole/SMZ, Septran (Salt/Mix), Septrin (Salt/Mix), Eusaprim (Salt/Mix), RP-2145, Spectrum_000994, Sulfamethoxazole(USAN), starbld0000281, Opera_ID_882, Maybridge1_007190, Prestwick0_000177, Prestwick1_000177, Prestwick2_000177, Prestwick3_000177, Spectrum2_000788, Spectrum3_000584, Spectrum4_000345, Spectrum5_000982, Sulfamethoxazole [USAN:USP:INN:BAN:JAN], Epitope ID:114999, Co-trimoxazole (Salt/Mix), Sulfamethoxazole (Standard), SCHEMBL3656, Oprea1_114486, Oprea1_285680, BSPBio_000073, BSPBio_002028, KBioGR_000749, KBioSS_001474, SULFAMETHOXAZOLE [MI], MLS001055354, MLS001074165, MLS006011871, BIDD:GT0731, DivK1c_000649, SPECTRUM1500550, SULFAMETHOXAZOLE [INN], SULFAMETHOXAZOLE [JAN], SPBio_000896, SPBio_001994, SULFAMETHOXAZOLE [HSDB], SULFAMETHOXAZOLE [IARC], SULFAMETHOXAZOLE [USAN], BPBio1_000081, orb1310200, orb3025068, SULFAMETHOXAZOLE [VANDF], SULFAMETHOXAZOLE [MART.], component of Bactrim (Salt/Mix), GTPL10933, HMS502A11, HMS561O18, HY-B0322R, JLKIGFTWXXRPMT-UHFFFAOYSA-, KBio1_000649, KBio2_001474, KBio2_004042, KBio2_006610, KBio3_001528, MSK4005, SULFAMETHOXAZOLE [USP-RS], SULFAMETHOXAZOLE [WHO-DD], SULFAMETHOXAZOLE [WHO-IP], WLN: T5NOJ C1 EMSWR DZ, NINDS_000649, GLXC-07765, HMS1568D15, HMS1921A21, HMS2092K03, HMS2095D15, HMS2233L13, HMS3259E06, HMS3372M22, HMS3655O22, HMS3712D15, HMS5080B05, Pharmakon1600-01500550, SMSSF-0062965, HY-B0322, Sulfamethoxazole (JP17/USP/INN), VQB71986, Sulfamethoxazole, analytical standard, Tox21_110480, Tox21_200353, BBL004554, BDBM50029770, CCG-40166, EBC-03728, MSK4005-100A, NSC757328, Ro-42130, SBB057675, SBB071655, STK007988, SULFAMETHOXAZOLE [ORANGE BOOK], AKOS000200952, component of Azo Gantanol (Salt/Mix), MSK4005-1000A, Tox21_110480_1, BS-3542, DB01015, FS27933, NC00537, NSC-757328, SULFAMETHOXAZOLE [EP MONOGRAPH], COTRIM COMPONENT SULFAMETHOXAZOLE, IDI1_000649, SEPTRA COMPONENT SULFAMETHOXAZOLE, SULFAMETHOXAZOLE [USP MONOGRAPH], SULFAMETHOXAZOLUM [WHO-IP LATIN], BACTRIM COMPONENT SULFAMETHOXAZOLE, NCGC00016533-01, NCGC00016533-02, NCGC00016533-03, NCGC00016533-04, NCGC00016533-06, NCGC00016533-07, NCGC00016533-08, NCGC00016533-09, NCGC00016533-10, NCGC00016533-11, NCGC00016533-12, NCGC00016533-14, NCGC00016533-24, NCGC00021995-03, NCGC00021995-04, NCGC00021995-05, NCGC00257907-01, UROPLUS COMPONENT SULFAMETHOXAZOLE, AC-11118, ST024740, SY018888, N'-(5-Methyl-3-isoxazolyl)-Sulfanilamide, N1-(5-methyl-3-isoxazolyl)-Sulfanilamide, N1-(5-Methyl-3-isoxazolyl)sulphanilamide, SBI-0051524.P003, SULFATRIM COMPONENT SULFAMETHOXAZOLE, SULMEPRIM COMPONENT SULFAMETHOXAZOLE, BACTRIM DS COMPONENT SULFAMETHOXAZOLE, Co-trimethoxazole component sulfamethoxazole, DB-055629, AB00052099, N^1-(5-Methyl-3-isoxazolyl)-Sulfanilamide, NS00000268, ST51006798, Sulfamethoxazole 1000 microg/mL in Methanol, SW196670-3, AZO GANTANOL COMPONENT SULFAMETHOXAZOLE, COTRIM D.S. COMPONENT SULFAMETHOXAZOLE, EN300-18400, C07315, D00447, F12027, SULFAMETHOPRIM COMPONENT SULFAMETHOXAZOLE, Sulfamethoxazole 100 microg/mL in Acetonitrile, AB00052099-14, AB00052099-16, AB00052099_17, AB00052099_18, Sulfamethoxazole 1000 microg/mL in Acetonitrile, BACTRIM PEDIATRIC COMPONENT SULFAMETHOXAZOLE, F236656, F572237, Ndimethyl1-(5-methyl-3-isoxazolyl)-Sulfanilamide, Q415843, SR-01000000217-2, SR-01000000217-3, Sulfamethoxazole Solution in Acetonitrile, 100ug/mL, Sulfamethoxazole, VETRANAL(TM), analytical standard, BRD-K28494619-001-05-0, BRD-K28494619-001-15-9, BRD-K28494619-001-26-6, BRD-K28494619-001-27-4, BRD-K28494619-001-28-2, Sulfamethoxazole Solution in Acetonitrile, 1000ug/mL, Z57198677, F0175-0013, Sulfamethoxazole, British Pharmacopoeia (BP) Reference Standard, Sulfamethoxazole, certified reference material, TraceCERT(R), 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide, SMX, SMZ, p-aminophenyl(5-methyl-3-isoxazolylamino)(oxo)-lambda-sulfaniumolate, Sulfamethoxazole, European Pharmacopoeia (EP) Reference Standard, Sulfamethoxazole, United States Pharmacopeia (USP) Reference Standard, Sulfamethoxazole, Pharmaceutical Secondary Standard, Certified Reference Material, InChI=1/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Octanol | 298.15 | - | 1.543 | [52] |
| 1-Octanol | 298.15 | - | 1.55 | [50] |
| 1-Octanol | 303.15 | - | 1.799 | [52] |
| 1-Octanol | 303.15 | - | 1.751 | [50] |
| 1-Octanol | 308.15 | - | 2.04 | [52] |
| 1-Octanol | 308.15 | - | 2.094 | [50] |
| 1-Octanol | 313.15 | - | 2.267 | [52] |
| 1-Octanol | 313.15 | - | 2.337 | [50] |
| 1-Octanol | 318.15 | - | 2.459 | [52] |
| 1-Octanol | 323.15 | - | 2.614 | [52] |
| 1-Octanol | 328.15 | - | 2.721 | [52] |
| 1-Octanol | 333.15 | - | 2.785 | [52] |
| Water | 298.15 | - | 0.3782 | [49] |
| Water | 298.15 | - | 0.3735 | [50] |
| Water | 303.15 | - | 0.4572 | [49] |
| Water | 303.15 | - | 0.4957 | [50] |
| Water | 308.15 | - | 0.5473 | [49] |
| Water | 308.15 | - | 0.6078 | [50] |
| Water | 313.15 | - | 0.6431 | [49] |
| Water | 313.15 | - | 0.6858 | [50] |
| Water | 318.15 | - | 0.7554 | [49] |
| Water | 323.15 | - | 0.879 | [49] |
| Water | 328.15 | - | 1.044 | [49] |
| Water | 333.15 | - | 1.212 | [49] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 826.7715 |
| PMI2 | 1762.6557 |
| PMI3 | 2244.4125 |
| NPR1 | 0.3684 |
| NPR2 | 0.7854 |
| RadiusOfGyration | 3.0891 |
| InertialShapeFactor | 0.0009 |
| Eccentricity | 0.9297 |
| Asphericity | 0.2669 |
| SpherocityIndex | 0.2604 |
| PBF | 0.8943 |