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A1CFJ

Summary
Name:2-(2,6-dichloroanilino)pyridine-3-sulfonic acid
Formula:C11 H8 Cl2 N2 O3 S
Formal charge:0
Formula weight:319.164 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.522-(2,6-dichloroanilino)pyridine-3-sulfonic acid
OpenEye OEToolkits3.1.0.02-[[2,6-bis(chloranyl)phenyl]amino]pyridine-3-sulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=S(=O)(O)c1cccnc1Nc1c(Cl)cccc1Cl
InChIInChI1.06InChI=1S/C11H8Cl2N2O3S/c12-7-3-1-4-8(13)10(7)15-11-9(19(16,17)18)5-2-6-14-11/h1-6H,(H,14,15)(H,16,17,18)
InChIKeyInChI1.06WLGWVYUEDPSKLN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O[S](=O)(=O)c1cccnc1Nc2c(Cl)cccc2Cl
SMILESCACTVS3.385O[S](=O)(=O)c1cccnc1Nc2c(Cl)cccc2Cl
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c(c(c1)Cl)Nc2c(cccn2)S(=O)(=O)O)Cl
SMILESOpenEye OEToolkits3.1.0.0c1cc(c(c(c1)Cl)Nc2c(cccn2)S(=O)(=O)O)Cl

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PDB entries from 2026-02-04

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