A1ECY

methyl 3-[[2-[(2,4-dichlorophenyl)amino]pyridin-3-yl]sulfonylamino]benzoate

Created:	2024-10-03
Last modified:	2025-08-20

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1 entries where A1ECY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	18

2D diagram of A1ECY

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Chemical Component Summary
Name	methyl 3-[[2-[(2,4-dichlorophenyl)amino]pyridin-3-yl]sulfonylamino]benzoate
Systematic Name (OpenEye OEToolkits)	methyl 3-[[2-[(2,4-dichlorophenyl)amino]pyridin-3-yl]sulfonylamino]benzoate
Formula	C₁₉ H₁₅ Cl₂ N₃ O₄ S
Molecular Weight	452.311
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COC(=O)c1cccc(N[S](=O)(=O)c2cccnc2Nc3ccc(Cl)cc3Cl)c1
SMILES	OpenEye OEToolkits	2.0.7	COC(=O)c1cccc(c1)NS(=O)(=O)c2cccnc2Nc3ccc(cc3Cl)Cl
Canonical SMILES	CACTVS	3.385	COC(=O)c1cccc(N[S](=O)(=O)c2cccnc2Nc3ccc(Cl)cc3Cl)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	COC(=O)c1cccc(c1)NS(=O)(=O)c2cccnc2Nc3ccc(cc3Cl)Cl
InChI	InChI	1.06	InChI=1S/C19H15Cl2N3O4S/c1-28-19(25)12-4-2-5-14(10-12)24-29(26,27)17-6-3-9-22-18(17)23-16-8-7-13(20)11-15(16)21/h2-11,24H,1H3,(H,22,23)
InChIKey	InChI	1.06	WKPVOSRSRJWSNO-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.