5-[2-[(2,4-difluorophenyl)methyl]-6-(ethenylsulfonylmethyl)phenyl]-3-ethyl-1-methylpyridin-2-one

C24H23F2NO3S — CID 146999329

IUPAC5-[2-[(2,4-difluorophenyl)methyl]-6-(ethenylsulfonylmethyl)phenyl]-3-ethyl-1-methylpyridin-2-one
SMILESC=CS(=O)(=O)Cc1cccc(Cc2ccc(F)cc2F)c1-c1cc(CC)c(=O)n(C)c1
InChIInChI=1S/C24H23F2NO3S/c1-4-16-11-20(14-27(3)24(16)28)23-18(12-17-9-10-21(25)13-22(17)26)7-6-8-19(23)15-31(29,30)5-2/h5-11,13-14H,2,4,12,15H2,1,3H3
InChIKeyARSOKMAADRLBMB-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.54
Rot. Bonds7

About 5-[2-[(2,4-difluorophenyl)methyl]-6-(ethenylsulfonylmethyl)phenyl]-3-ethyl-1-methylpyridin-2-one

5-[2-[(2,4-difluorophenyl)methyl]-6-(ethenylsulfonylmethyl)phenyl]-3-ethyl-1-methylpyridin-2-one (PubChem CID 146999329) has the molecular formula C24H23F2NO3S and a molecular weight of 443.52 g/mol. Its IUPAC name is 5-[2-[(2,4-difluorophenyl)methyl]-6-(ethenylsulfonylmethyl)phenyl]-3-ethyl-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-[(2,4-difluorophenyl)methyl]-6-(ethenylsulfonylmethyl)phenyl]-3-ethyl-1-methylpyridin-2-one
PubChem CID146999329
Molecular FormulaC24H23F2NO3S
Molecular Weight443.52 g/mol
Exact Mass443.14
IUPAC Name5-[2-[(2,4-difluorophenyl)methyl]-6-(ethenylsulfonylmethyl)phenyl]-3-ethyl-1-methylpyridin-2-one
SMILESC=CS(=O)(=O)Cc1cccc(Cc2ccc(F)cc2F)c1-c1cc(CC)c(=O)n(C)c1
InChIInChI=1S/C24H23F2NO3S/c1-4-16-11-20(14-27(3)24(16)28)23-18(12-17-9-10-21(25)13-22(17)26)7-6-8-19(23)15-31(29,30)5-2/h5-11,13-14H,2,4,12,15H2,1,3H3
InChIKeyARSOKMAADRLBMB-UHFFFAOYSA-N
XLogP4.54
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-Dimethylphenyl)methylsulfonylmethyl]-1-methylpyridin-2-one
CID 56814514
4-[bis(4-fluorophenyl)methylsulfonyl]-N,N-dimethylbutanamide
CID 47035175
5-[4-(3,5-Difluorophenyl)-4-(4-methylsulfonylphenyl)but-1-en-2-yl]-1-methylpyridin-2-one
CID 68097253
5-[2-[(2,4-Difluorophenyl)methyl]-5-(methylsulfonylmethyl)phenyl]-1-ethyl-3-methylpyridin-2-one
CID 126703997
5-Fluoro-4-(4-methylphenyl)-1-(3-methylsulfonylbutyl)pyridin-2-one
CID 129018678
7-(4-fluorophenyl)-2-methyl-10-(methylsulfonylmethyl)-5H-pyrido[4,3-d][2]benzazepin-3-one
CID 134514013
7-(2,4-difluorophenyl)-10-(ethylsulfonylmethyl)-2-methyl-5H-pyrido[4,3-d][2]benzazepin-3-one
CID 134514488
5-[2-[(E)-1-(2,4-difluorophenyl)but-1-enyl]-5-(ethylsulfinylmethyl)phenyl]-1-methyl-4-propan-2-ylpyridin-2-one
CID 134514553
5-[5-(Ethylsulfonylmethyl)-2-(4-fluorobenzoyl)phenyl]-4-fluoro-1-methylpyridin-2-one
CID 139493492
1-Cyclohexyl-4-[3-(trifluoromethyl)phenyl]-2,3-dihydropyridin-6-one;2-methylsulfonylpropane
CID 143011773
3-[(1Z,4S)-1-[2-[2-(2-fluorophenyl)ethyl]-5-(trifluoromethyl)phenyl]-2,4-dimethyl-3-oxo-5-(2,2,2-trifluoroethylsulfonyl)hexa-1,5-dienyl]-1H-pyridin-2-one
CID 143773580
10-(ethylsulfonylmethyl)-2-methyl-7-(2,4,6-trifluorophenyl)-5H-pyrido[4,3-d][2]benzazepin-3-one
CID 146240548

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2,4-difluorophenyl)methyl]-6-(ethenylsulfonylmethyl)phenyl]-3-ethyl-1-methylpyridin-2-one?
The IUPAC name of 5-[2-[(2,4-difluorophenyl)methyl]-6-(ethenylsulfonylmethyl)phenyl]-3-ethyl-1-methylpyridin-2-one (CID 146999329) is 5-[2-[(2,4-difluorophenyl)methyl]-6-(ethenylsulfonylmethyl)phenyl]-3-ethyl-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-[(2,4-difluorophenyl)methyl]-6-(ethenylsulfonylmethyl)phenyl]-3-ethyl-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-[(2,4-difluorophenyl)methyl]-6-(ethenylsulfonylmethyl)phenyl]-3-ethyl-1-methylpyridin-2-one is C=CS(=O)(=O)Cc1cccc(Cc2ccc(F)cc2F)c1-c1cc(CC)c(=O)n(C)c1.
What is the InChIKey of 5-[2-[(2,4-difluorophenyl)methyl]-6-(ethenylsulfonylmethyl)phenyl]-3-ethyl-1-methylpyridin-2-one?
The InChIKey is ARSOKMAADRLBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO3S/c1-4-16-11-20(14-27(3)24(16)28)23-18(12-17-9-10-21(25)13-22(17)26)7-6-8-19(23)15-31(29,30)5-2/h5-11,13-14H,2,4,12,15H2,1,3H3.
What are the key properties of 5-[2-[(2,4-difluorophenyl)methyl]-6-(ethenylsulfonylmethyl)phenyl]-3-ethyl-1-methylpyridin-2-one?
5-[2-[(2,4-difluorophenyl)methyl]-6-(ethenylsulfonylmethyl)phenyl]-3-ethyl-1-methylpyridin-2-one has a molecular weight of 443.52 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2,4-difluorophenyl)methyl]-6-(ethenylsulfonylmethyl)phenyl]-3-ethyl-1-methylpyridin-2-one is sourced from PubChem (CID 146999329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).