3-(4-fluoro-2-methylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one

C14H14FNO3S — CID 1476562

IUPAC3-(4-fluoro-2-methylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(S(=O)(=O)c2ccc(F)cc2C)c(=O)[nH]1
InChIInChI=1S/C14H14FNO3S/c1-8-7-11(15)4-5-12(8)20(18,19)13-9(2)6-10(3)16-14(13)17/h4-7H,1-3H3,(H,16,17)
InChIKeyOFFALYOWJFMKEI-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.27
Rot. Bonds2

About 3-(4-fluoro-2-methylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one

3-(4-fluoro-2-methylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 1476562) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one
PubChem CID1476562
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Name3-(4-fluoro-2-methylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(S(=O)(=O)c2ccc(F)cc2C)c(=O)[nH]1
InChIInChI=1S/C14H14FNO3S/c1-8-7-11(15)4-5-12(8)20(18,19)13-9(2)6-10(3)16-14(13)17/h4-7H,1-3H3,(H,16,17)
InChIKeyOFFALYOWJFMKEI-UHFFFAOYSA-N
XLogP2.27
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-(4-fluoro-2-methylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one (CID 1476562) is 3-(4-fluoro-2-methylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-(4-fluoro-2-methylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(S(=O)(=O)c2ccc(F)cc2C)c(=O)[nH]1.
What is the InChIKey of 3-(4-fluoro-2-methylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is OFFALYOWJFMKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-8-7-11(15)4-5-12(8)20(18,19)13-9(2)6-10(3)16-14(13)17/h4-7H,1-3H3,(H,16,17).
What are the key properties of 3-(4-fluoro-2-methylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one?
3-(4-fluoro-2-methylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 295.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 1476562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).