6N0

N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide

Created:	2015-03-03
Last modified:	2015-05-13

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2 entries where 6N0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	12

2D diagram of 6N0

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Chemical Component Summary
Name	N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide
Systematic Name (OpenEye OEToolkits)	N-[5,5-bis(oxidanylidene)dibenzothiophen-2-yl]-4,4-bis(fluoranyl)piperidine-1-carboxamide
Formula	C₁₈ H₁₆ F₂ N₂ O₃ S
Molecular Weight	378.393
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	FC1(F)CCN(CC1)C(=O)Nc2ccc3c(c2)c4ccccc4[S]3(=O)=O
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)-c3cc(ccc3S2(=O)=O)NC(=O)N4CCC(CC4)(F)F
Canonical SMILES	CACTVS	3.385	FC1(F)CCN(CC1)C(=O)Nc2ccc3c(c2)c4ccccc4[S]3(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)-c3cc(ccc3S2(=O)=O)NC(=O)N4CCC(CC4)(F)F
InChI	InChI	1.03	InChI=1S/C18H16F2N2O3S/c19-18(20)7-9-22(10-8-18)17(23)21-12-5-6-16-14(11-12)13-3-1-2-4-15(13)26(16,24)25/h1-6,11H,7-10H2,(H,21,23)
InChIKey	InChI	1.03	CHISZLOVTPVOGH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	91754971

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.