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

INV

Summary
Name:4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE
Formula:C14 H13 F N2 O3 S
Formal charge:0
Formula weight:308.328 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-(4-fluorobenzyl)-4-sulfamoylbenzamide
OpenEye OEToolkits1.5.0N-[(4-fluorophenyl)methyl]-4-sulfamoyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1ccc(cc1)CNC(=O)c2ccc(cc2)S(=O)(=O)N
SMILES_CANONICALCACTVS3.341N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(F)cc2
SMILESCACTVS3.341N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(F)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1CNC(=O)c2ccc(cc2)S(=O)(=O)N)F
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1CNC(=O)c2ccc(cc2)S(=O)(=O)N)F
InChIInChI1.03InChI=1S/C14H13FN2O3S/c15-12-5-1-10(2-6-12)9-17-14(18)11-3-7-13(8-4-11)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKeyInChI1.03IXDVPACDZDRCTN-UHFFFAOYSA-N

248636

PDB entries from 2026-02-04

PDB statisticsPDBj update infoContact PDBjnumon