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

7CG

Summary
Name:2,5-dibromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
Formula:C16 H14 Br2 N2 O3 S
Formal charge:0
Formula weight:474.167 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,5-dibromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
OpenEye OEToolkits2.0.62,5-bis(bromanyl)-~{N}-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3c(S(=O)(Nc1cc(ccc1)N2CCCC2=O)=O)c(Br)ccc3Br
InChIInChI1.03InChI=1S/C16H14Br2N2O3S/c17-11-6-7-14(18)15(9-11)24(22,23)19-12-3-1-4-13(10-12)20-8-2-5-16(20)21/h1,3-4,6-7,9-10,19H,2,5,8H2
InChIKeyInChI1.03NRKBTDDDQRBZAM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Brc1ccc(Br)c(c1)[S](=O)(=O)Nc2cccc(c2)N3CCCC3=O
SMILESCACTVS3.385Brc1ccc(Br)c(c1)[S](=O)(=O)Nc2cccc(c2)N3CCCC3=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cc(ccc3Br)Br
SMILESOpenEye OEToolkits2.0.6c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cc(ccc3Br)Br

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon