A1E4Q

~{N}-[5-(4-chlorophenyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]-4-phenyl-benzenesulfonamide

Created:	2026-02-01
Last modified:	2026-02-18

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1 entries where A1E4Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	29

2D diagram of A1E4Q

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Chemical Component Summary
Name	~{N}-[5-(4-chlorophenyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]-4-phenyl-benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-[5-(4-chlorophenyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]-4-phenyl-benzenesulfonamide
Formula	C₂₅ H₁₈ Cl N₅ O₂ S
Molecular Weight	487.961
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1ccc(cc1)c2ccc(c(N[S](=O)(=O)c3ccc(cc3)c4ccccc4)c2)c5[nH]nnn5
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(ccc3c4[nH]nnn4)c5ccc(cc5)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccc(cc1)c2ccc(c(N[S](=O)(=O)c3ccc(cc3)c4ccccc4)c2)c5[nH]nnn5
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(ccc3c4[nH]nnn4)c5ccc(cc5)Cl
InChI	InChI	1.06	InChI=1S/C25H18ClN5O2S/c26-21-11-6-19(7-12-21)20-10-15-23(25-27-30-31-28-25)24(16-20)29-34(32,33)22-13-8-18(9-14-22)17-4-2-1-3-5-17/h1-16,29H,(H,27,28,30,31)
InChIKey	InChI	1.06	KBGKPMOGQFOILI-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.