4J8

4-methylbenzenesulfonamide

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

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4 entries where 4J8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of 4J8

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Chemical Component Summary
Name	4-methylbenzenesulfonamide
Systematic Name (OpenEye OEToolkits)	4-methylbenzenesulfonamide
Formula	C₇ H₉ N O₂ S
Molecular Weight	171.217
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(ccc(S(=O)(=O)N)cc1)C
SMILES	CACTVS	3.385	Cc1ccc(cc1)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	Cc1ccc(cc1)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKey	InChI	1.03	LMYRWZFENFIFIT-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB17299
Name	p-Toluenesulfonamide
Groups	investigational
Synonyms	Toluenesulfonamide, p- P-methylbenzenesulfonamide P-toluenesulfonylamide 4-toluenesulfonamide p-Toluenesulfonamide Tolbutamide impurity a P-tosylamide Toluene-4-sulphonamide Para-toluenesulfonamide Benzenesulfonamide, 4-methyl- 4-methylbenzenesulfonamide
Categories	Amides Benzene Derivatives Sulfonamides Sulfones Sulfur Compounds
CAS number	70-55-3

Related Resource References

Resource Name	Reference
Pharos	CHEMBL574
PubChem	6269, 56635390
ChEMBL	CHEMBL574
ChEBI	CHEBI:34435
CCDC/CSD	DATGIQ, IWEROS, YUSREL, KUSVEZ02, VEVYIE, NETDIZ, KUSVEZ03, YISRUQ, NUMJUC, KUSVEZ, KUSVEZ01, AQUFEY, KUSVEZ04, JACWEP01
COD	7209773, 1542822

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.