520

4'-(4-aminobenzoyl)biphenyl-4-sulfonamide

Created:	2015-07-15
Last modified:	2015-11-04

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2 entries where 520 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 520

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Chemical Component Summary
Name	4'-(4-aminobenzoyl)biphenyl-4-sulfonamide
Systematic Name (OpenEye OEToolkits)	4-[4-(4-aminophenyl)carbonylphenyl]benzenesulfonamide
Formula	C₁₉ H₁₆ N₂ O₃ S
Molecular Weight	352.407
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(ccc(c1)N)C(c2ccc(cc2)c3ccc(S(=O)(=O)N)cc3)=O
SMILES	CACTVS	3.385	Nc1ccc(cc1)C(=O)c2ccc(cc2)c3ccc(cc3)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	1.9.2	c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)C(=O)c3ccc(cc3)N
Canonical SMILES	CACTVS	3.385	Nc1ccc(cc1)C(=O)c2ccc(cc2)c3ccc(cc3)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)C(=O)c3ccc(cc3)N
InChI	InChI	1.03	InChI=1S/C19H16N2O3S/c20-17-9-5-16(6-10-17)19(22)15-3-1-13(2-4-15)14-7-11-18(12-8-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24)
InChIKey	InChI	1.03	XKAQFZLONLOUSN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3632844
PubChem	91995964
ChEMBL	CHEMBL3632844

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.