Sorafenib

Molecular Mass: 464.8 g/mol

Formula: C₂₁H₁₆ClF₃N₄O₃

Smiles: CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1

Synonymes:

Sorafenib, 284461-73-0, BAY 43-9006, sorafenibum, 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methyl-2-pyridinecarboxamide, 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide, BAY-43-9006, N-(4-Chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea, 9ZOQ3TZI87, 4-(4-((((4-Chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-2-pyridinecarboxamide, DTXSID7041128, BAY-439006, CHEBI:50924, BAY 439006, 2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-, 4-(4-{3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido}phenoxy)-N(sup 2)-methylpyridine-2-carboxamide, 4-(4-(3-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)UREIDO)PHENOXY)-N(SUP 2)-METHYLPYRIDINE-2-CARBOXAMIDE, 4-(4-(((4-chloro-3-(trifluoromethyl)phenyl)carbamoyl)amino)phenoxy)-N-methylpyridine-2-carboxamide, 4-(4-((4-chloro-3-(trifluoromethyl)phenyl)carbamoylamino)phenoxy)-N-methylpyridine-2-carboxamide, RefChem:6252, BAY-545-9085, sorafenib tosilate hydrate, DTXCID5021128, L01XE05, BAY 673472, BAY5459085, BAY 43 9006, BAY 5459085, BAY 545 9085, BA4 43 9006, 608-209-4, 4-(4-(3-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)UREIDO)PHENOXY)-N-METHYLPICOLINAMIDE, MFCD06411450, Sorafenib free base, 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-pyridine-2-carboxamide, C21H16ClF3N4O3, CHEMBL1336, 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Sorafenib [INN], Sorafenib (Nexavar), BAX, NSC-724772, NCGC00167488-01, 284461-73-0 (free base), UNII-9ZOQ3TZI87, Sorafenib [USAN:INN:BAN], SR-00000000529, HSDB 8173, 1uwh, 3gcs, 3heg, 4asd, Hit compound, 8, Sorafenib (Base), Sorafenib, 4, 4-[4-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methyl-2-pyridinecarboxamide, BAY 43-9006, N-[4-Chloro-3-(trifluoromethyl)phenyl]-N'-[4-[2-(N-methylcarbamoyl)-4-pyridyloxy]phenyl]urea, Nevaxar, Sorafenib, Manganese(4+), chloro[[4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl-kappaN21,kappaN22,kappaN23,kappaN24)tetrakis[1-methylpyridiniumato]](2-)]-, chloride (1:4), (SP-5-12)-, Sorafenib (Standard), BAY43-9006, Kinome_766, SORAFENIB BASE, SORAFENIB [MI], Sorafenib (USAN/INN), SORAFENIB [USAN], Nexavar (TN) (Bayer), SORAFENIB [VANDF], SORAFENIB [MART.], EC 608-209-4, SCHEMBL8218, SORAFENIB [WHO-DD], SORAFENIB [EMA EPAR], Sorafenib - Bio-X trade mark, BAY 43-9006, Sorafenib, cid_216239, GTPL5711, orb1310944, SCHEMBL29349634, BDBM16673, GLXC-90094, HMS2043A18, HMS3244A15, HMS3244A16, HMS3244B15, HMS3656N20, HMS5085J14, K00597a, EX-A2894, BAY439006, EBC-00643, HY-10201R, NSC747971, NSC800934, s7397, STK627350, T0093L, Sorafenib for peak identification CRS, AKOS005560229, AC-1674, CCG-269400, CS-1590, DB00398, FS10807, NSC-747971, NSC-800934, PB14443, SB19942, SDCCGSBI-0634413.P005, SF-0529, BAY-43-0006, NCGC00167488-02, NCGC00167488-03, NCGC00167488-04, NCGC00167488-05, NCGC00167488-07, NCGC00167488-11, NCGC00167488-14, 4(4-{3-[4-Chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)-N(sup 2)-methylpyridine-2-carboxamide, BP-44051, BS164413, DA-52659, HY-10201, N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcar bamoyl)-4-pyridyloxy)phenyl)urea, Sorafenib free base (BAY-43-9006)?, SY009239, PA-216239, NS00005946, SW202562-4, D08524, EN300-120647, AB00933189-05, AB00933189-06, AB00933189_08, Q421136, SR-00000000529-1, BRD-K23984367-001-01-8, BRD-K23984367-001-07-5, BRD-K23984367-075-15-2, Z89277543, 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl) ureido) phenoxy)-N-methylpicolinamide, 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl) ureido)phenoxy)-N-methylpicolinamide, N-(3-trifluoromethyl-4-chlorophenyl)-N'-(4-(2-methylcarbamoyl pyridin-4-yl)oxyphenyl)urea, 4-(4-{3-[4-chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)- N-methylpyridine-2-carboxamide, 4-(4-{3-[4-Chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)-N2-methylpyridine-2-carboxamide, 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-picolinamide, tosylic acid, 4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)-amino]phenoxy}-N-methylpyridine-2-carboxamide, 4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-N-methyl-pyridine-2-carboxamide, Manganese(4+), chloro[[4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl-N21,N22,N23,N24)tetrakis[1-methylpyridiniumato]](2-)]-, chloride (1:4), (SP-5-12)-, N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl) urea

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Butanol	273.15	-	3.758	[329]
1-Butanol	278.15	-	4.21	[329]
1-Butanol	283.15	-	4.714	[329]
1-Butanol	283.15	-	3.309	[330]
1-Butanol	288.15	-	5.27	[329]
1-Butanol	293.15	-	5.886	[329]
1-Butanol	293.15	-	4.146	[330]
1-Butanol	298.15	-	6.567	[329]
1-Butanol	303.15	-	7.318	[329]
1-Butanol	303.15	-	6.537	[330]
1-Butanol	308.15	-	8.147	[329]
1-Butanol	313.15	-	9.063	[329]
1-Butanol	313.15	-	9.648	[330]
1-Butanol	323.15	-	14.26	[330]
1-Butanol	333.15	-	20.43	[330]
1-Pentanol	283.15	-	2.599	[330]
1-Pentanol	293.15	-	3.52	[330]
1-Pentanol	303.15	-	5.208	[330]
1-Pentanol	313.15	-	7.314	[330]
1-Pentanol	323.15	-	10.73	[330]
1-Pentanol	333.15	-	15.69	[330]
1-Propanol	273.15	-	4.799	[329]
1-Propanol	278.15	-	5.43	[329]
1-Propanol	283.15	-	6.147	[329]
1-Propanol	283.15	-	4.259	[330]
1-Propanol	288.15	-	6.946	[329]
1-Propanol	293.15	-	7.84	[329]
1-Propanol	293.15	-	5.523	[330]
1-Propanol	298.15	-	8.85	[329]
1-Propanol	303.15	-	9.973	[329]
1-Propanol	303.15	-	8.436	[330]
1-Propanol	308.15	-	11.22	[329]
1-Propanol	313.15	-	12.62	[329]
1-Propanol	313.15	-	12.48	[330]
1-Propanol	323.15	-	18.94	[330]
1-Propanol	333.15	-	27.33	[330]
Acetone	273.15	-	14.83	[329]
Acetone	278.15	-	16.77	[329]
Acetone	283.15	-	18.88	[329]
Acetone	288.15	-	21.07	[329]
Acetone	293.15	-	23.41	[329]
Acetone	298.15	-	25.57	[329]
Acetone	303.15	-	28.03	[329]
Acetone	308.15	-	30.37	[329]
Acetone	313.15	-	34.45	[329]
Acetonitrile	273.15	-	1.476	[329]
Acetonitrile	278.15	-	1.755	[329]
Acetonitrile	283.15	-	2.147	[329]
Acetonitrile	288.15	-	2.516	[329]
Acetonitrile	293.15	-	2.959	[329]
Acetonitrile	298.15	-	3.484	[329]
Acetonitrile	303.15	-	4.159	[329]
Acetonitrile	308.15	-	4.954	[329]
Acetonitrile	313.15	-	5.841	[329]
Cyclohexanone	273.15	-	52.64	[329]
Cyclohexanone	278.15	-	57.41	[329]
Cyclohexanone	283.15	-	63.55	[329]
Cyclohexanone	288.15	-	70.0	[329]
Cyclohexanone	293.15	-	77.34	[329]
Cyclohexanone	298.15	-	85.96	[329]
Cyclohexanone	303.15	-	94.76	[329]
Cyclohexanone	308.15	-	103.5	[329]
Cyclohexanone	313.15	-	113.2	[329]
Ethanol	273.15	-	5.255	[329]
Ethanol	278.15	-	5.891	[329]
Ethanol	283.15	-	6.58	[329]
Ethanol	288.15	-	7.386	[329]
Ethanol	293.15	-	8.189	[329]
Ethanol	298.15	-	9.076	[329]
Ethanol	303.15	-	10.0	[329]
Ethanol	308.15	-	11.0	[329]
Ethanol	313.15	-	12.12	[329]
Ethyl acetate	273.15	-	4.079	[329]
Ethyl acetate	278.15	-	4.87	[329]
Ethyl acetate	283.15	-	5.752	[329]
Ethyl acetate	288.15	-	6.781	[329]
Ethyl acetate	293.15	-	7.842	[329]
Ethyl acetate	298.15	-	9.086	[329]
Ethyl acetate	303.15	-	10.41	[329]
Ethyl acetate	308.15	-	11.91	[329]
Ethyl acetate	313.15	-	13.58	[329]
Isobutanol	273.15	-	2.221	[329]
Isobutanol	278.15	-	2.542	[329]
Isobutanol	283.15	-	2.95	[329]
Isobutanol	283.15	-	1.282	[330]
Isobutanol	288.15	-	3.342	[329]
Isobutanol	293.15	-	3.8	[329]
Isobutanol	293.15	-	1.908	[330]
Isobutanol	298.15	-	4.276	[329]
Isobutanol	303.15	-	4.846	[329]
Isobutanol	303.15	-	3.566	[330]
Isobutanol	308.15	-	5.467	[329]
Isobutanol	313.15	-	6.201	[329]
Isobutanol	313.15	-	5.153	[330]
Isobutanol	323.15	-	7.59	[330]
Isobutanol	333.15	-	10.48	[330]
Isopropanol	273.15	-	3.095	[329]
Isopropanol	278.15	-	3.542	[329]
Isopropanol	283.15	-	4.088	[329]
Isopropanol	283.15	-	3.13	[330]
Isopropanol	288.15	-	4.653	[329]
Isopropanol	293.15	-	5.266	[329]
Isopropanol	293.15	-	3.879	[330]
Isopropanol	298.15	-	5.896	[329]
Isopropanol	303.15	-	6.593	[329]
Isopropanol	303.15	-	6.25	[330]
Isopropanol	308.15	-	7.36	[329]
Isopropanol	313.15	-	8.24	[329]
Isopropanol	313.15	-	9.044	[330]
Isopropanol	323.15	-	13.31	[330]
Isopropanol	333.15	-	18.94	[330]
Methanol	273.15	-	4.525	[329]
Methanol	278.15	-	4.931	[329]
Methanol	283.15	-	5.331	[329]
Methanol	288.15	-	5.878	[329]
Methanol	293.15	-	6.475	[329]
Methanol	298.15	-	7.168	[329]
Methanol	303.15	-	7.954	[329]
Methanol	308.15	-	8.673	[329]
Methanol	313.15	-	9.507	[329]
Methyl ethyl ketone	273.15	-	35.7	[329]
Methyl ethyl ketone	278.15	-	38.62	[329]
Methyl ethyl ketone	283.15	-	41.87	[329]
Methyl ethyl ketone	288.15	-	45.06	[329]
Methyl ethyl ketone	293.15	-	48.68	[329]
Methyl ethyl ketone	298.15	-	52.55	[329]
Methyl ethyl ketone	303.15	-	57.43	[329]
Methyl ethyl ketone	308.15	-	62.68	[329]
Methyl ethyl ketone	313.15	-	68.32	[329]
Toluene	273.15	-	8.8	[329]
Toluene	278.15	-	9.722	[329]
Toluene	283.15	-	10.35	[329]
Toluene	288.15	-	11.25	[329]
Toluene	293.15	-	12.38	[329]
Toluene	298.15	-	13.67	[329]
Toluene	303.15	-	15.27	[329]
Toluene	308.15	-	16.5	[329]
Toluene	313.15	-	18.4	[329]

Molecule 3D descriptors

Descriptor	Value
PMI1	989.1579
PMI2	20082.6431
PMI3	20496.8580
NPR1	0.0483
NPR2	0.9798
RadiusOfGyration	6.6868
InertialShapeFactor	0.0010
Eccentricity	0.9988
Asphericity	0.8626
SpherocityIndex	0.0614
PBF	0.7182