7CO

2,6-difluoro-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 7CO 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 7CO

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Chemical Component Summary
Name	2,6-difluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	2,6-bis(fluoranyl)-~{N}-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]benzenesulfonamide
Formula	C₁₆ H₁₄ F₂ N₂ O₃ S
Molecular Weight	352.356
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2c(NS(=O)(c1c(F)cccc1F)=O)cccc2N3CCCC3=O
SMILES	CACTVS	3.385	Fc1cccc(F)c1[S](=O)(=O)Nc2cccc(c2)N3CCCC3=O
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3c(cccc3F)F
Canonical SMILES	CACTVS	3.385	Fc1cccc(F)c1[S](=O)(=O)Nc2cccc(c2)N3CCCC3=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3c(cccc3F)F
InChI	InChI	1.03	InChI=1S/C16H14F2N2O3S/c17-13-6-2-7-14(18)16(13)24(22,23)19-11-4-1-5-12(10-11)20-9-3-8-15(20)21/h1-2,4-7,10,19H,3,8-9H2
InChIKey	InChI	1.03	URBCFGISMUKQSQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8841881

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.