3-(benzenesulfonyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one

C13H10F3NO3S — CID 166452046

IUPAC3-(benzenesulfonyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(C(F)(F)F)cc(S(=O)(=O)c2ccccc2)c1=O
InChIInChI=1S/C13H10F3NO3S/c1-17-8-9(13(14,15)16)7-11(12(17)18)21(19,20)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyLNFDREJULJGQBG-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.24
Rot. Bonds2

About 3-(benzenesulfonyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one

3-(benzenesulfonyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 166452046) has the molecular formula C13H10F3NO3S and a molecular weight of 317.29 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one
PubChem CID166452046
Molecular FormulaC13H10F3NO3S
Molecular Weight317.29 g/mol
Exact Mass317.03
IUPAC Name3-(benzenesulfonyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(C(F)(F)F)cc(S(=O)(=O)c2ccccc2)c1=O
InChIInChI=1S/C13H10F3NO3S/c1-17-8-9(13(14,15)16)7-11(12(17)18)21(19,20)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyLNFDREJULJGQBG-UHFFFAOYSA-N
XLogP2.24
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one (CID 166452046) is 3-(benzenesulfonyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one is Cn1cc(C(F)(F)F)cc(S(=O)(=O)c2ccccc2)c1=O.
What is the InChIKey of 3-(benzenesulfonyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is LNFDREJULJGQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3S/c1-17-8-9(13(14,15)16)7-11(12(17)18)21(19,20)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 3-(benzenesulfonyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one?
3-(benzenesulfonyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 317.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-methyl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 166452046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).