4JC

4-ethylbenzenesulfonamide

Created:	2015-03-23
Last modified:	2016-02-03

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3 entries where 4JC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

2D diagram of 4JC

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Chemical Component Summary
Name	4-ethylbenzenesulfonamide
Systematic Name (OpenEye OEToolkits)	4-ethylbenzenesulfonamide
Formula	C₈ H₁₁ N O₂ S
Molecular Weight	185.243
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(N)(=O)c1ccc(cc1)CC
SMILES	CACTVS	3.385	CCc1ccc(cc1)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	1.9.2	CCc1ccc(cc1)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	CCc1ccc(cc1)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCc1ccc(cc1)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
InChIKey	InChI	1.03	MLTGAVXHWSDGIS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL358263
PubChem	222870
ChEMBL	CHEMBL358263

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.