6-(benzenesulfonyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one

C11H8FNO4S — CID 135038968

IUPAC6-(benzenesulfonyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]c(S(=O)(=O)c2ccccc2)cc(O)c1F
InChIInChI=1S/C11H8FNO4S/c12-10-8(14)6-9(13-11(10)15)18(16,17)7-4-2-1-3-5-7/h1-6H,(H2,13,14,15)
InChIKeyXJOVAOWKTZLVNA-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.05
Rot. Bonds2

About 6-(benzenesulfonyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one

6-(benzenesulfonyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one (PubChem CID 135038968) has the molecular formula C11H8FNO4S and a molecular weight of 269.25 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(benzenesulfonyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one
PubChem CID135038968
Molecular FormulaC11H8FNO4S
Molecular Weight269.25 g/mol
Exact Mass269.02
IUPAC Name6-(benzenesulfonyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]c(S(=O)(=O)c2ccccc2)cc(O)c1F
InChIInChI=1S/C11H8FNO4S/c12-10-8(14)6-9(13-11(10)15)18(16,17)7-4-2-1-3-5-7/h1-6H,(H2,13,14,15)
InChIKeyXJOVAOWKTZLVNA-UHFFFAOYSA-N
XLogP1.05
TPSA87.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzenesulfonyl)-6-hydroxy-1H-pyridin-2-one
CID 12605536
5-(benzenesulfonyl)-4-ethyl-6-hydroxy-1H-pyridin-2-one
CID 150482230
6-(Benzenesulfonyl)-1-hydroxypyridin-2-one
CID 9859792
3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54704564
3-(benzenesulfonyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54712814
5-(benzenesulfonyl)-4,6-dihydroxy-1H-pyridin-2-one
CID 82372053

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 6-(benzenesulfonyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one (CID 135038968) is 6-(benzenesulfonyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 6-(benzenesulfonyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 6-(benzenesulfonyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one is O=c1[nH]c(S(=O)(=O)c2ccccc2)cc(O)c1F.
What is the InChIKey of 6-(benzenesulfonyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one?
The InChIKey is XJOVAOWKTZLVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4S/c12-10-8(14)6-9(13-11(10)15)18(16,17)7-4-2-1-3-5-7/h1-6H,(H2,13,14,15).
What are the key properties of 6-(benzenesulfonyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one?
6-(benzenesulfonyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one has a molecular weight of 269.25 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 135038968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).