5,5-difluoro-3-(methylamino)-5-pyridin-3-ylsulfonylpentan-2-one

C11H14F2N2O3S — CID 166448993

IUPAC5,5-difluoro-3-(methylamino)-5-pyridin-3-ylsulfonylpentan-2-one
SMILESCNC(CC(F)(F)S(=O)(=O)c1cccnc1)C(C)=O
InChIInChI=1S/C11H14F2N2O3S/c1-8(16)10(14-2)6-11(12,13)19(17,18)9-4-3-5-15-7-9/h3-5,7,10,14H,6H2,1-2H3
InChIKeyFNVHDXFLTPKCBT-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.02
Rot. Bonds6

About 5,5-difluoro-3-(methylamino)-5-pyridin-3-ylsulfonylpentan-2-one

5,5-difluoro-3-(methylamino)-5-pyridin-3-ylsulfonylpentan-2-one (PubChem CID 166448993) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is 5,5-difluoro-3-(methylamino)-5-pyridin-3-ylsulfonylpentan-2-one.

Molecular Properties

Compound Name5,5-difluoro-3-(methylamino)-5-pyridin-3-ylsulfonylpentan-2-one
PubChem CID166448993
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name5,5-difluoro-3-(methylamino)-5-pyridin-3-ylsulfonylpentan-2-one
SMILESCNC(CC(F)(F)S(=O)(=O)c1cccnc1)C(C)=O
InChIInChI=1S/C11H14F2N2O3S/c1-8(16)10(14-2)6-11(12,13)19(17,18)9-4-3-5-15-7-9/h3-5,7,10,14H,6H2,1-2H3
InChIKeyFNVHDXFLTPKCBT-UHFFFAOYSA-N
XLogP1.02
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methylamino)-4-pyridin-3-ylbutan-2-one
CID 22974289
2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115256328
N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide
CID 107158011
N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
CID 104858661
(2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid
CID 104935920
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650
(2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid
CID 104935414
3,3-dimethyl-1-pyridin-3-ylsulfonylbutan-2-one
CID 58129199
N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride
CID 120830025
2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
N-(3-amino-2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 115365958
(2S)-2-(methylamino)-N-[1-(4-methylphenyl)-3-oxobutan-2-yl]-3-pyridin-3-ylpropanamide
CID 54279755

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3-(methylamino)-5-pyridin-3-ylsulfonylpentan-2-one?
The IUPAC name of 5,5-difluoro-3-(methylamino)-5-pyridin-3-ylsulfonylpentan-2-one (CID 166448993) is 5,5-difluoro-3-(methylamino)-5-pyridin-3-ylsulfonylpentan-2-one.
What is the SMILES notation for 5,5-difluoro-3-(methylamino)-5-pyridin-3-ylsulfonylpentan-2-one?
The canonical SMILES for 5,5-difluoro-3-(methylamino)-5-pyridin-3-ylsulfonylpentan-2-one is CNC(CC(F)(F)S(=O)(=O)c1cccnc1)C(C)=O.
What is the InChIKey of 5,5-difluoro-3-(methylamino)-5-pyridin-3-ylsulfonylpentan-2-one?
The InChIKey is FNVHDXFLTPKCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c1-8(16)10(14-2)6-11(12,13)19(17,18)9-4-3-5-15-7-9/h3-5,7,10,14H,6H2,1-2H3.
What are the key properties of 5,5-difluoro-3-(methylamino)-5-pyridin-3-ylsulfonylpentan-2-one?
5,5-difluoro-3-(methylamino)-5-pyridin-3-ylsulfonylpentan-2-one has a molecular weight of 292.31 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3-(methylamino)-5-pyridin-3-ylsulfonylpentan-2-one is sourced from PubChem (CID 166448993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).