4JE

4-propylbenzenesulfonamide

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

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2 entries where 4JE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

2D diagram of 4JE

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Chemical Component Summary
Name	4-propylbenzenesulfonamide
Systematic Name (OpenEye OEToolkits)	4-propylbenzenesulfonamide
Formula	C₉ H₁₃ N O₂ S
Molecular Weight	199.27
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(Cc1ccc(cc1)S(=O)(=O)N)C
SMILES	CACTVS	3.385	CCCc1ccc(cc1)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	1.9.2	CCCc1ccc(cc1)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	CCCc1ccc(cc1)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCCc1ccc(cc1)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12)
InChIKey	InChI	1.03	CICCMHNIYTXWRF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL148660
PubChem	2265561
ChEMBL	CHEMBL148660

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.