Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

WJN

Summary
Name:4-{[4-(trifluoromethyl)phenyl]carbamamido}benzene-1-sulfonamide
Formula:C14 H12 F3 N3 O3 S
Formal charge:0
Formula weight:359.324 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{[4-(trifluoromethyl)phenyl]carbamamido}benzene-1-sulfonamide
OpenEye OEToolkits2.0.71-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(N)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
InChIInChI1.06InChI=1S/C14H12F3N3O3S/c15-14(16,17)9-1-3-10(4-2-9)19-13(21)20-11-5-7-12(8-6-11)24(18,22)23/h1-8H,(H2,18,22,23)(H2,19,20,21)
InChIKeyInChI1.06PTTQRLLAHZHAEV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1C(F)(F)F)NC(=O)Nc2ccc(cc2)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1C(F)(F)F)NC(=O)Nc2ccc(cc2)S(=O)(=O)N

250835

PDB entries from 2026-03-18

PDB statisticsPDBj update infoContact PDBjnumon