QA0

5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]phthalic acid

Created:	2023-03-28
Last modified:	2024-03-27

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1 entries where QA0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	24

2D diagram of QA0

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Chemical Component Summary
Name	5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]phthalic acid
Systematic Name (OpenEye OEToolkits)	5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]phthalic acid
Formula	C₂₆ H₁₈ Cl N O₆ S
Molecular Weight	507.942
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1cc(cc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c1C(O)=O)c4ccc(Cl)cc4
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(cc(c3C(=O)O)C(=O)O)c4ccc(cc4)Cl
Canonical SMILES	CACTVS	3.385	OC(=O)c1cc(cc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c1C(O)=O)c4ccc(Cl)cc4
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(cc(c3C(=O)O)C(=O)O)c4ccc(cc4)Cl
InChI	InChI	1.06	InChI=1S/C26H18ClNO6S/c27-20-10-6-18(7-11-20)19-14-22(25(29)30)24(26(31)32)23(15-19)28-35(33,34)21-12-8-17(9-13-21)16-4-2-1-3-5-16/h1-15,28H,(H,29,30)(H,31,32)
InChIKey	InChI	1.06	YTJHZNUCWYZRPQ-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.