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

C13H12FNO3S — CID 82907663

IUPAC1-[2-(4-fluorophenyl)sulfonylethyl]pyridin-2-one
SMILESO=c1ccccn1CCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO3S/c14-11-4-6-12(7-5-11)19(17,18)10-9-15-8-2-1-3-13(15)16/h1-8H,9-10H2
InChIKeyCGXZKDJBIPRHJG-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.46
Rot. Bonds4

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

1-[2-(4-fluorophenyl)sulfonylethyl]pyridin-2-one (PubChem CID 82907663) has the molecular formula C13H12FNO3S and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)sulfonylethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)sulfonylethyl]pyridin-2-one
PubChem CID82907663
Molecular FormulaC13H12FNO3S
Molecular Weight281.31 g/mol
Exact Mass281.05
IUPAC Name1-[2-(4-fluorophenyl)sulfonylethyl]pyridin-2-one
SMILESO=c1ccccn1CCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO3S/c14-11-4-6-12(7-5-11)19(17,18)10-9-15-8-2-1-3-13(15)16/h1-8H,9-10H2
InChIKeyCGXZKDJBIPRHJG-UHFFFAOYSA-N
XLogP1.46
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.46
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]pyridin-2-one?
The IUPAC name of 1-[2-(4-fluorophenyl)sulfonylethyl]pyridin-2-one (CID 82907663) is 1-[2-(4-fluorophenyl)sulfonylethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)sulfonylethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)sulfonylethyl]pyridin-2-one is O=c1ccccn1CCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)sulfonylethyl]pyridin-2-one?
The InChIKey is CGXZKDJBIPRHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3S/c14-11-4-6-12(7-5-11)19(17,18)10-9-15-8-2-1-3-13(15)16/h1-8H,9-10H2.
What are the key properties of 1-[2-(4-fluorophenyl)sulfonylethyl]pyridin-2-one?
1-[2-(4-fluorophenyl)sulfonylethyl]pyridin-2-one has a molecular weight of 281.31 g/mol, XLogP of 1.46, 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]pyridin-2-one is sourced from PubChem (CID 82907663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).