S6I

4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide

Created:	2010-05-26
Last modified:	2011-06-04

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1 entries where S6I is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	6

2D diagram of S6I

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Chemical Component Summary
Name	4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	1-cyclopentyl-3-(4-sulfamoylphenyl)urea
Formula	C₁₂ H₁₇ N₃ O₃ S
Molecular Weight	283.347
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1ccc(cc1)S(=O)(=O)N)NC2CCCC2
SMILES	CACTVS	3.370	N[S](=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1
SMILES	OpenEye OEToolkits	1.7.0	c1cc(ccc1NC(=O)NC2CCCC2)S(=O)(=O)N
Canonical SMILES	CACTVS	3.370	N[S](=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc(ccc1NC(=O)NC2CCCC2)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C12H17N3O3S/c13-19(17,18)11-7-5-10(6-8-11)15-12(16)14-9-3-1-2-4-9/h5-9H,1-4H2,(H2,13,17,18)(H2,14,15,16)
InChIKey	InChI	1.03	QRZYENXYGGOPSS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1615215
PubChem	27870443
ChEMBL	CHEMBL1615215

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.