1-(4-ethyl-3-fluorophenyl)-4-methylsulfonylpyridin-2-one

C14H14FNO3S — CID 130252908

IUPAC1-(4-ethyl-3-fluorophenyl)-4-methylsulfonylpyridin-2-one
SMILESCCc1ccc(-n2ccc(S(C)(=O)=O)cc2=O)cc1F
InChIInChI=1S/C14H14FNO3S/c1-3-10-4-5-11(8-13(10)15)16-7-6-12(9-14(16)17)20(2,18)19/h4-9H,3H2,1-2H3
InChIKeyMYBOUAMSAPQKJB-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.94
Rot. Bonds3

About 1-(4-ethyl-3-fluorophenyl)-4-methylsulfonylpyridin-2-one

1-(4-ethyl-3-fluorophenyl)-4-methylsulfonylpyridin-2-one (PubChem CID 130252908) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(4-ethyl-3-fluorophenyl)-4-methylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-(4-ethyl-3-fluorophenyl)-4-methylsulfonylpyridin-2-one
PubChem CID130252908
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Name1-(4-ethyl-3-fluorophenyl)-4-methylsulfonylpyridin-2-one
SMILESCCc1ccc(-n2ccc(S(C)(=O)=O)cc2=O)cc1F
InChIInChI=1S/C14H14FNO3S/c1-3-10-4-5-11(8-13(10)15)16-7-6-12(9-14(16)17)20(2,18)19/h4-9H,3H2,1-2H3
InChIKeyMYBOUAMSAPQKJB-UHFFFAOYSA-N
XLogP1.94
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-fluorophenyl)-4-methylsulfonylpyridin-2-one?
The IUPAC name of 1-(4-ethyl-3-fluorophenyl)-4-methylsulfonylpyridin-2-one (CID 130252908) is 1-(4-ethyl-3-fluorophenyl)-4-methylsulfonylpyridin-2-one.
What is the SMILES notation for 1-(4-ethyl-3-fluorophenyl)-4-methylsulfonylpyridin-2-one?
The canonical SMILES for 1-(4-ethyl-3-fluorophenyl)-4-methylsulfonylpyridin-2-one is CCc1ccc(-n2ccc(S(C)(=O)=O)cc2=O)cc1F.
What is the InChIKey of 1-(4-ethyl-3-fluorophenyl)-4-methylsulfonylpyridin-2-one?
The InChIKey is MYBOUAMSAPQKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-3-10-4-5-11(8-13(10)15)16-7-6-12(9-14(16)17)20(2,18)19/h4-9H,3H2,1-2H3.
What are the key properties of 1-(4-ethyl-3-fluorophenyl)-4-methylsulfonylpyridin-2-one?
1-(4-ethyl-3-fluorophenyl)-4-methylsulfonylpyridin-2-one has a molecular weight of 295.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-fluorophenyl)-4-methylsulfonylpyridin-2-one is sourced from PubChem (CID 130252908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).