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A1AG4

Summary
Name:4-(3,4-dichlorobenzene-1-sulfonamido)-2-fluorobenzoic acid
Formula:C13 H8 Cl2 F N O4 S
Formal charge:0
Formula weight:364.176 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(3,4-dichlorobenzene-1-sulfonamido)-2-fluorobenzoic acid
OpenEye OEToolkits2.0.74-[(3,4-dichlorophenyl)sulfonylamino]-2-fluoranyl-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc(cc1Cl)S(=O)(=O)Nc1ccc(C(=O)O)c(F)c1
InChIInChI1.06InChI=1S/C13H8Cl2FNO4S/c14-10-4-2-8(6-11(10)15)22(20,21)17-7-1-3-9(13(18)19)12(16)5-7/h1-6,17H,(H,18,19)
InChIKeyInChI1.06MZRQIERHJHPZRP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(N[S](=O)(=O)c2ccc(Cl)c(Cl)c2)cc1F
SMILESCACTVS3.385OC(=O)c1ccc(N[S](=O)(=O)c2ccc(Cl)c(Cl)c2)cc1F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1NS(=O)(=O)c2ccc(c(c2)Cl)Cl)F)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1NS(=O)(=O)c2ccc(c(c2)Cl)Cl)F)C(=O)O

250359

PDB entries from 2026-03-11

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