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NLM

Summary
Name:4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:C11 H9 Cl N2 O5 S2
Formal charge:0
Formula weight:348.783 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
OpenEye OEToolkits2.0.74-[(3-chloranylpyridin-2-yl)sulfamoyl]benzenesulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(S(c1ccc(cc1)S(=O)(=O)O)(=O)=O)c2ncccc2Cl
InChIInChI1.03InChI=1S/C11H9ClN2O5S2/c12-10-2-1-7-13-11(10)14-20(15,16)8-3-5-9(6-4-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19)
InChIKeyInChI1.03HCEVZVCXFTUKMF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2ncccc2Cl
SMILESCACTVS3.385O[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2ncccc2Cl
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(nc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(c(nc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O)Cl

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PDB entries from 2024-07-17

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