4-[(4-fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one

C14H14FNO3S — CID 75461659

IUPAC4-[(4-fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one
SMILESCn1ccc(CS(=O)(=O)Cc2ccc(F)cc2)cc1=O
InChIInChI=1S/C14H14FNO3S/c1-16-7-6-12(8-14(16)17)10-20(18,19)9-11-2-4-13(15)5-3-11/h2-8H,9-10H2,1H3
InChIKeyPJIBHNBAROWQJP-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.64
Rot. Bonds4

About 4-[(4-fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one

4-[(4-fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one (PubChem CID 75461659) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one
PubChem CID75461659
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Name4-[(4-fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one
SMILESCn1ccc(CS(=O)(=O)Cc2ccc(F)cc2)cc1=O
InChIInChI=1S/C14H14FNO3S/c1-16-7-6-12(8-14(16)17)10-20(18,19)9-11-2-4-13(15)5-3-11/h2-8H,9-10H2,1H3
InChIKeyPJIBHNBAROWQJP-UHFFFAOYSA-N
XLogP1.64
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one (CID 75461659) is 4-[(4-fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one is Cn1ccc(CS(=O)(=O)Cc2ccc(F)cc2)cc1=O.
What is the InChIKey of 4-[(4-fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one?
The InChIKey is PJIBHNBAROWQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-16-7-6-12(8-14(16)17)10-20(18,19)9-11-2-4-13(15)5-3-11/h2-8H,9-10H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one?
4-[(4-fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one has a molecular weight of 295.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one is sourced from PubChem (CID 75461659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).