A1EEQ

3-[[2-[(2,4-dichlorophenyl)amino]pyridin-3-yl]sulfonylamino]benzoic acid

Created:	2024-10-30
Last modified:	2025-08-20

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1 entries where A1EEQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	18

2D diagram of A1EEQ

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Chemical Component Summary
Name	3-[[2-[(2,4-dichlorophenyl)amino]pyridin-3-yl]sulfonylamino]benzoic acid
Systematic Name (OpenEye OEToolkits)	3-[[2-[(2,4-dichlorophenyl)amino]pyridin-3-yl]sulfonylamino]benzoic acid
Formula	C₁₈ H₁₃ Cl₂ N₃ O₄ S
Molecular Weight	438.285
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1cccc(N[S](=O)(=O)c2cccnc2Nc3ccc(Cl)cc3Cl)c1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)NS(=O)(=O)c2cccnc2Nc3ccc(cc3Cl)Cl)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1cccc(N[S](=O)(=O)c2cccnc2Nc3ccc(Cl)cc3Cl)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)NS(=O)(=O)c2cccnc2Nc3ccc(cc3Cl)Cl)C(=O)O
InChI	InChI	1.06	InChI=1S/C18H13Cl2N3O4S/c19-12-6-7-15(14(20)10-12)22-17-16(5-2-8-21-17)28(26,27)23-13-4-1-3-11(9-13)18(24)25/h1-10,23H,(H,21,22)(H,24,25)
InChIKey	InChI	1.06	VNAUTIHXPAFTLF-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.