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

C13H15NO4S — CID 123500374

IUPAC1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane
SMILESCC.O=c1c(O)cccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H9NO4S.C2H6/c13-10-7-4-8-12(11(10)14)17(15,16)9-5-2-1-3-6-9;1-2/h1-8,13H;1-2H3
InChIKeyYGQMENGMIMTPNU-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.82
Rot. Bonds2

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

1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane (PubChem CID 123500374) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane
PubChem CID123500374
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane
SMILESCC.O=c1c(O)cccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H9NO4S.C2H6/c13-10-7-4-8-12(11(10)14)17(15,16)9-5-2-1-3-6-9;1-2/h1-8,13H;1-2H3
InChIKeyYGQMENGMIMTPNU-UHFFFAOYSA-N
XLogP1.82
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.82
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;ethane?
The IUPAC name of 1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane (CID 123500374) is 1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane.
What is the SMILES notation for 1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane?
The canonical SMILES for 1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane is CC.O=c1c(O)cccn1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane?
The InChIKey is YGQMENGMIMTPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S.C2H6/c13-10-7-4-8-12(11(10)14)17(15,16)9-5-2-1-3-6-9;1-2/h1-8,13H;1-2H3.
What are the key properties of 1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane?
1-(benzenesulfonyl)-3-hydroxypyridin-2-one;ethane has a molecular weight of 281.33 g/mol, XLogP of 1.82, 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;ethane is sourced from PubChem (CID 123500374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).