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

X0S

Summary
Name:2-chloro-N-methylbenzene-1-sulfonamide
Formula:C7 H8 Cl N O2 S
Formal charge:0
Formula weight:205.662 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-chloro-N-methylbenzene-1-sulfonamide
OpenEye OEToolkits2.0.72-chloranyl-~{N}-methyl-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(S(NC)(=O)=O)c(Cl)ccc1
InChIInChI1.03InChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKeyInChI1.03OSFAUZAAZLLTSW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN[S](=O)(=O)c1ccccc1Cl
SMILESCACTVS3.385CN[S](=O)(=O)c1ccccc1Cl
SMILES_CANONICALOpenEye OEToolkits2.0.7CNS(=O)(=O)c1ccccc1Cl
SMILESOpenEye OEToolkits2.0.7CNS(=O)(=O)c1ccccc1Cl

223532

PDB entries from 2024-08-07

PDB statisticsPDBj update infoContact PDBjnumon