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

1JG

Summary
Name:2-{[(5-bromothiophen-2-yl)sulfonyl]amino}-4-chlorobenzoic acid
Formula:C11 H7 Br Cl N O4 S2
Formal charge:0
Formula weight:396.665 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{[(5-bromothiophen-2-yl)sulfonyl]amino}-4-chlorobenzoic acid
OpenEye OEToolkits1.7.62-[(5-bromanylthiophen-2-yl)sulfonylamino]-4-chloranyl-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1sc(Br)cc1)Nc2cc(Cl)ccc2C(=O)O
InChIInChI1.03InChI=1S/C11H7BrClNO4S2/c12-9-3-4-10(19-9)20(17,18)14-8-5-6(13)1-2-7(8)11(15)16/h1-5,14H,(H,15,16)
InChIKeyInChI1.03IXCUPGWXLSPDDS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370OC(=O)c1ccc(Cl)cc1N[S](=O)(=O)c2sc(Br)cc2
SMILESCACTVS3.370OC(=O)c1ccc(Cl)cc1N[S](=O)(=O)c2sc(Br)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(c(cc1Cl)NS(=O)(=O)c2ccc(s2)Br)C(=O)O
SMILESOpenEye OEToolkits1.7.6c1cc(c(cc1Cl)NS(=O)(=O)c2ccc(s2)Br)C(=O)O

224931

數據於2024-09-11公開中

PDB statisticsPDBj update infoContact PDBjnumon