5-(benzenesulfonyl)-4,6-dihydroxy-1H-pyridin-2-one

C11H9NO5S — CID 82372053

IUPAC5-(benzenesulfonyl)-4,6-dihydroxy-1H-pyridin-2-one
SMILESO=c1cc(O)c(S(=O)(=O)c2ccccc2)c(O)[nH]1
InChIInChI=1S/C11H9NO5S/c13-8-6-9(14)12-11(15)10(8)18(16,17)7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15)
InChIKeyXVEPOLUSTQJTKQ-UHFFFAOYSA-N
MW267.26 g/mol
LogP0.62
Rot. Bonds2

About 5-(benzenesulfonyl)-4,6-dihydroxy-1H-pyridin-2-one

5-(benzenesulfonyl)-4,6-dihydroxy-1H-pyridin-2-one (PubChem CID 82372053) has the molecular formula C11H9NO5S and a molecular weight of 267.26 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-4,6-dihydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(benzenesulfonyl)-4,6-dihydroxy-1H-pyridin-2-one
PubChem CID82372053
Molecular FormulaC11H9NO5S
Molecular Weight267.26 g/mol
Exact Mass267.02
IUPAC Name5-(benzenesulfonyl)-4,6-dihydroxy-1H-pyridin-2-one
SMILESO=c1cc(O)c(S(=O)(=O)c2ccccc2)c(O)[nH]1
InChIInChI=1S/C11H9NO5S/c13-8-6-9(14)12-11(15)10(8)18(16,17)7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15)
InChIKeyXVEPOLUSTQJTKQ-UHFFFAOYSA-N
XLogP0.62
TPSA107.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(benzenesulfonyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one
CID 135038968
5-(benzenesulfonyl)-6-hydroxy-1H-pyridin-2-one
CID 12605536
5-(benzenesulfonyl)-3-hydroxy-1H-pyridin-2-one
CID 19844408
5-(benzenesulfonyl)-4-ethyl-6-hydroxy-1H-pyridin-2-one
CID 150482230
3-[(4-Methylphenyl)sulfonyl]pyridine-2,6-diol
CID 49814374
3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54704564
4-hydroxy-6-methyl-3-(phenylsulfanyl)pyridin-2(1H)-one
CID 54707529
3-(benzenesulfonyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54712814

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-4,6-dihydroxy-1H-pyridin-2-one?
The IUPAC name of 5-(benzenesulfonyl)-4,6-dihydroxy-1H-pyridin-2-one (CID 82372053) is 5-(benzenesulfonyl)-4,6-dihydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-(benzenesulfonyl)-4,6-dihydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-(benzenesulfonyl)-4,6-dihydroxy-1H-pyridin-2-one is O=c1cc(O)c(S(=O)(=O)c2ccccc2)c(O)[nH]1.
What is the InChIKey of 5-(benzenesulfonyl)-4,6-dihydroxy-1H-pyridin-2-one?
The InChIKey is XVEPOLUSTQJTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5S/c13-8-6-9(14)12-11(15)10(8)18(16,17)7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15).
What are the key properties of 5-(benzenesulfonyl)-4,6-dihydroxy-1H-pyridin-2-one?
5-(benzenesulfonyl)-4,6-dihydroxy-1H-pyridin-2-one has a molecular weight of 267.26 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-4,6-dihydroxy-1H-pyridin-2-one is sourced from PubChem (CID 82372053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).