4J8

4-methylbenzenesulfonamide

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is present as a standalone ligand in 4 entries

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Chemical Component Summary
Name	4-methylbenzenesulfonamide
Identifiers	4-methylbenzenesulfonamide
Formula	C₇ H₉ N O₂ S
Molecular Weight	171.217
Type	NON-POLYMER
Isomeric SMILES	Cc1ccc(cc1)S(=O)(=O)N
InChI	InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKey	LMYRWZFENFIFIT-UHFFFAOYSA-N

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

Drug Info: DrugBank

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

Related Resource References

Resource Name	Reference
Pharos	CHEMBL574
PubChem	56635390, 6269
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.