4WA

4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide

Created:	2015-06-11
Last modified:	2015-08-05

Find Related PDB Entry
3 entries where 4WA is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

2D diagram of 4WA

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	4-[(4-aminophenyl)diazenyl]benzenesulfonamide
Formula	C₁₂ H₁₂ N₄ O₂ S
Molecular Weight	276.314
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(N)c1ccc(cc1)\N=N\c2ccc(N)cc2
SMILES	CACTVS	3.385	Nc1ccc(cc1)N=Nc2ccc(cc2)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	1.9.2	c1cc(ccc1N)N=Nc2ccc(cc2)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	Nc1ccc(cc1)N=Nc2ccc(cc2)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(ccc1N)N=Nc2ccc(cc2)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C12H12N4O2S/c13-9-1-3-10(4-2-9)15-16-11-5-7-12(8-6-11)19(14,17)18/h1-8H,13H2,(H2,14,17,18)/b16-15+
InChIKey	InChI	1.03	JSHXITVMUADQEA-FOCLMDBBSA-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.