1.0 2016-06-03 13:33:51 UTC 2026-08-21 23:35:24 UTC vemurafenib SmallMolecule Vemurafenib is an organic compound with the formula C23H18ClF2N3O3S and an average molecular weight of 489.92 g/mol. vemurafenib belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This compound acts as an inhibitor of the serine/threonine-protein kinase B-raf (BRAF). It is found in or released from three recorded sources, including electrical and electronic equipment such as electric hearing aids, as well as pharmaceuticals and veterinary products, specifically antineoplastic agents and gynecologicals. The recorded route of exposure for this substance is oral. Human Neurotoxin C23H18ClF2N3O3S 489.922 489.072546264 N-{3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide vemurafenib 1029872-54-5 CCCS(=O)(=O)NC1=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CC=C(Cl)C=C2)=C(F)C=C1 InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28) GPXBXXGIAQBQNI-UHFFFAOYSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aryl-phenylketones Aminosulfonyl compounds Aryl chlorides Aryl fluorides Azacyclic compounds Benzoyl derivatives Chlorobenzenes Fluorobenzenes Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organic sulfonamides Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds Organosulfonamides Phenylpyridines Pyrrolopyridines Substituted pyrroles Sulfanilides Vinylogous amides Vinylogous halides 3-phenylpyridine Aminosulfonyl compound Aromatic heteropolycyclic compound Aryl chloride Aryl fluoride Aryl halide Aryl-phenylketone Azacycle Benzenoid Benzoyl Chlorobenzene Fluorobenzene Halobenzene Heteroaromatic compound Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic sulfonic acid amide Organic sulfonic acid or derivatives Organochloride Organofluoride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Organosulfonic acid amide Organosulfonic acid or derivatives Organosulfur compound Pyridine Pyrrole Pyrrolopyridine Substituted pyrrole Sulfanilide Sulfonyl Vinylogous amide Vinylogous halide Aromatic heteropolycyclic compounds organochlorine compound organofluorine compound pyrrolopyridine sulfonamide Detected and Not Quantified Vemurafenib Drug Metabolism Action Pathway SMP0144198 logp 4.62 logp 4.95 ALOGPS logs -6.13 ALOGPS solubility 3.62e-04 g/l ALOGPS logp 4.62 ChemAxon pka_strongest_acidic 7.17 ChemAxon pka_strongest_basic 3.2 ChemAxon iupac N-{3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide ChemAxon average_mass 489.922 ChemAxon mono_mass 489.072546264 ChemAxon smiles CCCS(=O)(=O)NC1=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CC=C(Cl)C=C2)=C(F)C=C1 ChemAxon formula C23H18ClF2N3O3S ChemAxon inchi InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28) ChemAxon inchikey GPXBXXGIAQBQNI-UHFFFAOYSA-N ChemAxon polar_surface_area 91.92 ChemAxon refractivity 121.97 ChemAxon polarizability 48.1 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7270a41b88> DB08881 42611257 24747352 BE0000634