3-(2,4-difluorophenyl)sulfonyl-1-(trideuteriomethyl)pyridin-2-one

C12H9F2NO3S — CID 175875835

IUPAC3-(2,4-difluorophenyl)sulfonyl-1-(trideuteriomethyl)pyridin-2-one
SMILES[2H]C([2H])([2H])n1cccc(S(=O)(=O)c2ccc(F)cc2F)c1=O
InChIInChI=1S/C12H9F2NO3S/c1-15-6-2-3-11(12(15)16)19(17,18)10-5-4-8(13)7-9(10)14/h2-7H,1H3/i1D3
InChIKeyWTDJJLCISUUUDW-FIBGUPNXSA-N
MW288.29 g/mol
LogP1.50
Rot. Bonds3

About 3-(2,4-difluorophenyl)sulfonyl-1-(trideuteriomethyl)pyridin-2-one

3-(2,4-difluorophenyl)sulfonyl-1-(trideuteriomethyl)pyridin-2-one (PubChem CID 175875835) has the molecular formula C12H9F2NO3S and a molecular weight of 288.29 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfonyl-1-(trideuteriomethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfonyl-1-(trideuteriomethyl)pyridin-2-one
PubChem CID175875835
Molecular FormulaC12H9F2NO3S
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name3-(2,4-difluorophenyl)sulfonyl-1-(trideuteriomethyl)pyridin-2-one
SMILES[2H]C([2H])([2H])n1cccc(S(=O)(=O)c2ccc(F)cc2F)c1=O
InChIInChI=1S/C12H9F2NO3S/c1-15-6-2-3-11(12(15)16)19(17,18)10-5-4-8(13)7-9(10)14/h2-7H,1H3/i1D3
InChIKeyWTDJJLCISUUUDW-FIBGUPNXSA-N
XLogP1.50
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfonyl-1-(trideuteriomethyl)pyridin-2-one?
The IUPAC name of 3-(2,4-difluorophenyl)sulfonyl-1-(trideuteriomethyl)pyridin-2-one (CID 175875835) is 3-(2,4-difluorophenyl)sulfonyl-1-(trideuteriomethyl)pyridin-2-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfonyl-1-(trideuteriomethyl)pyridin-2-one?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfonyl-1-(trideuteriomethyl)pyridin-2-one is [2H]C([2H])([2H])n1cccc(S(=O)(=O)c2ccc(F)cc2F)c1=O.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfonyl-1-(trideuteriomethyl)pyridin-2-one?
The InChIKey is WTDJJLCISUUUDW-FIBGUPNXSA-N. The full InChI is InChI=1S/C12H9F2NO3S/c1-15-6-2-3-11(12(15)16)19(17,18)10-5-4-8(13)7-9(10)14/h2-7H,1H3/i1D3.
What are the key properties of 3-(2,4-difluorophenyl)sulfonyl-1-(trideuteriomethyl)pyridin-2-one?
3-(2,4-difluorophenyl)sulfonyl-1-(trideuteriomethyl)pyridin-2-one has a molecular weight of 288.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfonyl-1-(trideuteriomethyl)pyridin-2-one is sourced from PubChem (CID 175875835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).