1-[2-(4-fluorophenyl)sulfonylethyl]-5-(trifluoromethyl)pyridin-2-one

C14H11F4NO3S — CID 99836910

IUPAC1-[2-(4-fluorophenyl)sulfonylethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H11F4NO3S/c15-11-2-4-12(5-3-11)23(21,22)8-7-19-9-10(14(16,17)18)1-6-13(19)20/h1-6,9H,7-8H2
InChIKeyORNZOVUNZVTVEC-UHFFFAOYSA-N
MW349.31 g/mol
LogP2.48
Rot. Bonds4

About 1-[2-(4-fluorophenyl)sulfonylethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-(4-fluorophenyl)sulfonylethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 99836910) has the molecular formula C14H11F4NO3S and a molecular weight of 349.31 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)sulfonylethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)sulfonylethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID99836910
Molecular FormulaC14H11F4NO3S
Molecular Weight349.31 g/mol
Exact Mass349.04
IUPAC Name1-[2-(4-fluorophenyl)sulfonylethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H11F4NO3S/c15-11-2-4-12(5-3-11)23(21,22)8-7-19-9-10(14(16,17)18)1-6-13(19)20/h1-6,9H,7-8H2
InChIKeyORNZOVUNZVTVEC-UHFFFAOYSA-N
XLogP2.48
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)sulfonylethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(4-fluorophenyl)sulfonylethyl]-5-(trifluoromethyl)pyridin-2-one (CID 99836910) is 1-[2-(4-fluorophenyl)sulfonylethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)sulfonylethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)sulfonylethyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1CCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)sulfonylethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is ORNZOVUNZVTVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO3S/c15-11-2-4-12(5-3-11)23(21,22)8-7-19-9-10(14(16,17)18)1-6-13(19)20/h1-6,9H,7-8H2.
What are the key properties of 1-[2-(4-fluorophenyl)sulfonylethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-(4-fluorophenyl)sulfonylethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 349.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)sulfonylethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 99836910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).