5-fluoro-4-(4-methylphenyl)-1-(3-methylsulfonylbutyl)pyridin-2-one

C17H20FNO3S — CID 129018678

IUPAC5-fluoro-4-(4-methylphenyl)-1-(3-methylsulfonylbutyl)pyridin-2-one
SMILESCc1ccc(-c2cc(=O)n(CCC(C)S(C)(=O)=O)cc2F)cc1
InChIInChI=1S/C17H20FNO3S/c1-12-4-6-14(7-5-12)15-10-17(20)19(11-16(15)18)9-8-13(2)23(3,21)22/h4-7,10-11,13H,8-9H2,1-3H3
InChIKeySLAUFRUARHTWEK-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.79
Rot. Bonds5

About 5-fluoro-4-(4-methylphenyl)-1-(3-methylsulfonylbutyl)pyridin-2-one

5-fluoro-4-(4-methylphenyl)-1-(3-methylsulfonylbutyl)pyridin-2-one (PubChem CID 129018678) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-fluoro-4-(4-methylphenyl)-1-(3-methylsulfonylbutyl)pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-4-(4-methylphenyl)-1-(3-methylsulfonylbutyl)pyridin-2-one
PubChem CID129018678
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC Name5-fluoro-4-(4-methylphenyl)-1-(3-methylsulfonylbutyl)pyridin-2-one
SMILESCc1ccc(-c2cc(=O)n(CCC(C)S(C)(=O)=O)cc2F)cc1
InChIInChI=1S/C17H20FNO3S/c1-12-4-6-14(7-5-12)15-10-17(20)19(11-16(15)18)9-8-13(2)23(3,21)22/h4-7,10-11,13H,8-9H2,1-3H3
InChIKeySLAUFRUARHTWEK-UHFFFAOYSA-N
XLogP2.79
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-(3-Fluoro-2-oxo-4-phenylpyridin-1(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 57326693
(2R)-4-(5-fluoro-2-oxo-4-phenylpyridin-1(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 57326694
(2R)-4-[4-(2-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 57326987
(2R)-4-[4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 57326988
(2R)-4-[4-(4-fluorophenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 57326989
2-(benzylsulfonyl)-N,N-diisobutylacetamide
CID 2218678
1-(4-(3,4-Difluorophenyl)piperidin-1-yl)-3-methanesulfonylpropan-1-one
CID 75369734
N-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)cinnamamide
CID 18573611
(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 16261908
4-[(2,5-Dimethylphenyl)methylsulfonylmethyl]-1-methylpyridin-2-one
CID 56814514
1-Methyl-4-[(3-methylphenyl)methylsulfonylmethyl]pyridin-2-one
CID 75461654
4-(Benzylsulfonylmethyl)-1-methylpyridin-2-one
CID 75461657

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-methylphenyl)-1-(3-methylsulfonylbutyl)pyridin-2-one?
The IUPAC name of 5-fluoro-4-(4-methylphenyl)-1-(3-methylsulfonylbutyl)pyridin-2-one (CID 129018678) is 5-fluoro-4-(4-methylphenyl)-1-(3-methylsulfonylbutyl)pyridin-2-one.
What is the SMILES notation for 5-fluoro-4-(4-methylphenyl)-1-(3-methylsulfonylbutyl)pyridin-2-one?
The canonical SMILES for 5-fluoro-4-(4-methylphenyl)-1-(3-methylsulfonylbutyl)pyridin-2-one is Cc1ccc(-c2cc(=O)n(CCC(C)S(C)(=O)=O)cc2F)cc1.
What is the InChIKey of 5-fluoro-4-(4-methylphenyl)-1-(3-methylsulfonylbutyl)pyridin-2-one?
The InChIKey is SLAUFRUARHTWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S/c1-12-4-6-14(7-5-12)15-10-17(20)19(11-16(15)18)9-8-13(2)23(3,21)22/h4-7,10-11,13H,8-9H2,1-3H3.
What are the key properties of 5-fluoro-4-(4-methylphenyl)-1-(3-methylsulfonylbutyl)pyridin-2-one?
5-fluoro-4-(4-methylphenyl)-1-(3-methylsulfonylbutyl)pyridin-2-one has a molecular weight of 337.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-methylphenyl)-1-(3-methylsulfonylbutyl)pyridin-2-one is sourced from PubChem (CID 129018678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).