7CJ

3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide

Created:	2016-10-04
Last modified:	2017-08-09

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1 entries where 7CJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	12

2D diagram of 7CJ

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Chemical Component Summary
Name	3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	3-fluoranyl-~{N}-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]benzenesulfonamide
Formula	C₁₆ H₁₅ F N₂ O₃ S
Molecular Weight	334.365
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C3CCN(c2cccc(NS(=O)(c1cccc(c1)F)=O)c2)C3=O
SMILES	CACTVS	3.385	Fc1cccc(c1)[S](=O)(=O)Nc2cccc(c2)N3CCCC3=O
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cccc(c3)F
Canonical SMILES	CACTVS	3.385	Fc1cccc(c1)[S](=O)(=O)Nc2cccc(c2)N3CCCC3=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cccc(c3)F
InChI	InChI	1.03	InChI=1S/C16H15FN2O3S/c17-12-4-1-7-15(10-12)23(21,22)18-13-5-2-6-14(11-13)19-9-3-8-16(19)20/h1-2,4-7,10-11,18H,3,8-9H2
InChIKey	InChI	1.03	QCAZSKHGEORRCN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7635936

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.