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

NX2

Summary
Name:3-[(3,4-dichlorobenzyl)sulfanyl]-N-(methylsulfonyl)thiophene-2-carboxamide
Formula:C13 H11 Cl2 N O3 S3
Formal charge:0
Formula weight:396.332 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[(3,4-dichlorobenzyl)sulfanyl]-N-(methylsulfonyl)thiophene-2-carboxamide
OpenEye OEToolkits1.7.03-[(3,4-dichlorophenyl)methylsulfanyl]-N-methylsulfonyl-thiophene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(NC(=O)c2sccc2SCc1cc(Cl)c(Cl)cc1)C
SMILES_CANONICALCACTVS3.370C[S](=O)(=O)NC(=O)c1sccc1SCc2ccc(Cl)c(Cl)c2
SMILESCACTVS3.370C[S](=O)(=O)NC(=O)c1sccc1SCc2ccc(Cl)c(Cl)c2
SMILES_CANONICALOpenEye OEToolkits1.7.0CS(=O)(=O)NC(=O)c1c(ccs1)SCc2ccc(c(c2)Cl)Cl
SMILESOpenEye OEToolkits1.7.0CS(=O)(=O)NC(=O)c1c(ccs1)SCc2ccc(c(c2)Cl)Cl
InChIInChI1.03InChI=1S/C13H11Cl2NO3S3/c1-22(18,19)16-13(17)12-11(4-5-20-12)21-7-8-2-3-9(14)10(15)6-8/h2-6H,7H2,1H3,(H,16,17)
InChIKeyInChI1.03WUCGCEYWGIIVMD-UHFFFAOYSA-N

246704

PDB entries from 2025-12-24

PDB statisticsPDBj update infoContact PDBjnumon