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A1AG5

Summary
Name:8-(3,4-dichlorobenzene-1-sulfonamido)quinoline-5-carboxylic acid
Formula:C16 H10 Cl2 N2 O4 S
Formal charge:0
Formula weight:397.233 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.018-(3,4-dichlorobenzene-1-sulfonamido)quinoline-5-carboxylic acid
OpenEye OEToolkits2.0.78-[(3,4-dichlorophenyl)sulfonylamino]quinoline-5-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc(cc1Cl)S(=O)(=O)Nc1ccc(c2cccnc12)C(=O)O
InChIInChI1.06InChI=1S/C16H10Cl2N2O4S/c17-12-5-3-9(8-13(12)18)25(23,24)20-14-6-4-11(16(21)22)10-2-1-7-19-15(10)14/h1-8,20H,(H,21,22)
InChIKeyInChI1.06FOXJHCVTBQEFGO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(N[S](=O)(=O)c2ccc(Cl)c(Cl)c2)c3ncccc13
SMILESCACTVS3.385OC(=O)c1ccc(N[S](=O)(=O)c2ccc(Cl)c(Cl)c2)c3ncccc13
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2c(ccc(c2nc1)NS(=O)(=O)c3ccc(c(c3)Cl)Cl)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1cc2c(ccc(c2nc1)NS(=O)(=O)c3ccc(c(c3)Cl)Cl)C(=O)O

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PDB entries from 2026-04-01

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