Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

EVE

Summary
Name:1H-benzimidazole-2-sulfonamide
Formula:C7 H7 N3 O2 S
Formal charge:0
Formula weight:197.214 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011H-benzimidazole-2-sulfonamide
OpenEye OEToolkits1.7.21H-benzimidazole-2-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c2nc1ccccc1n2)N
SMILES_CANONICALCACTVS3.370N[S](=O)(=O)c1[nH]c2ccccc2n1
SMILESCACTVS3.370N[S](=O)(=O)c1[nH]c2ccccc2n1
SMILES_CANONICALOpenEye OEToolkits1.7.2c1ccc2c(c1)[nH]c(n2)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.2c1ccc2c(c1)[nH]c(n2)S(=O)(=O)N
InChIInChI1.03InChI=1S/C7H7N3O2S/c8-13(11,12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H2,8,11,12)
InChIKeyInChI1.03XRGHQBXKSHAQRB-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon