1-(benzenesulfonyl)-3-hydroxypyridin-2-one

C11H9NO4S — CID 58252395

IUPAC1-(benzenesulfonyl)-3-hydroxypyridin-2-one
SMILESO=c1c(O)cccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H9NO4S/c13-10-7-4-8-12(11(10)14)17(15,16)9-5-2-1-3-6-9/h1-8,13H
InChIKeyIJZJKQIXHWRQJO-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.79
Rot. Bonds2

About 1-(benzenesulfonyl)-3-hydroxypyridin-2-one

1-(benzenesulfonyl)-3-hydroxypyridin-2-one (PubChem CID 58252395) has the molecular formula C11H9NO4S and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-hydroxypyridin-2-one
PubChem CID58252395
Molecular FormulaC11H9NO4S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC Name1-(benzenesulfonyl)-3-hydroxypyridin-2-one
SMILESO=c1c(O)cccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H9NO4S/c13-10-7-4-8-12(11(10)14)17(15,16)9-5-2-1-3-6-9/h1-8,13H
InChIKeyIJZJKQIXHWRQJO-UHFFFAOYSA-N
XLogP0.79
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-hydroxypyridin-2-one?
The IUPAC name of 1-(benzenesulfonyl)-3-hydroxypyridin-2-one (CID 58252395) is 1-(benzenesulfonyl)-3-hydroxypyridin-2-one.
What is the SMILES notation for 1-(benzenesulfonyl)-3-hydroxypyridin-2-one?
The canonical SMILES for 1-(benzenesulfonyl)-3-hydroxypyridin-2-one is O=c1c(O)cccn1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-hydroxypyridin-2-one?
The InChIKey is IJZJKQIXHWRQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S/c13-10-7-4-8-12(11(10)14)17(15,16)9-5-2-1-3-6-9/h1-8,13H.
What are the key properties of 1-(benzenesulfonyl)-3-hydroxypyridin-2-one?
1-(benzenesulfonyl)-3-hydroxypyridin-2-one has a molecular weight of 251.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-hydroxypyridin-2-one is sourced from PubChem (CID 58252395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).