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

R21

Summary
Name:2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Synonyms:2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylphenethyl)acetamide
Formula:C16 H17 Cl N2 O4 S
Formal charge:0
Formula weight:368.835 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
OpenEye OEToolkits1.7.02-(3-chloro-4-hydroxy-phenyl)-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cc(ccc1O)CC(=O)NCCc2ccc(cc2)S(=O)(=O)N
SMILES_CANONICALCACTVS3.370N[S](=O)(=O)c1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1
SMILESCACTVS3.370N[S](=O)(=O)c1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(ccc1CCNC(=O)Cc2ccc(c(c2)Cl)O)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.0c1cc(ccc1CCNC(=O)Cc2ccc(c(c2)Cl)O)S(=O)(=O)N
InChIInChI1.03InChI=1S/C16H17ClN2O4S/c17-14-9-12(3-6-15(14)20)10-16(21)19-8-7-11-1-4-13(5-2-11)24(18,22)23/h1-6,9,20H,7-8,10H2,(H,19,21)(H2,18,22,23)
InChIKeyInChI1.03MALIONKMKPITBV-UHFFFAOYSA-N

222624

PDB entries from 2024-07-17

PDB statisticsPDBj update infoContact PDBjnumon