5-(benzenesulfonyl)-3-hydroxy-1H-pyridin-2-one

C11H9NO4S — CID 19844408

IUPAC5-(benzenesulfonyl)-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(S(=O)(=O)c2ccccc2)cc1O
InChIInChI=1S/C11H9NO4S/c13-10-6-9(7-12-11(10)14)17(15,16)8-4-2-1-3-5-8/h1-7,13H,(H,12,14)
InChIKeyUOWIFSMGRDVJTL-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.91
Rot. Bonds2

About 5-(benzenesulfonyl)-3-hydroxy-1H-pyridin-2-one

5-(benzenesulfonyl)-3-hydroxy-1H-pyridin-2-one (PubChem CID 19844408) has the molecular formula C11H9NO4S and a molecular weight of 251.26 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-3-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(benzenesulfonyl)-3-hydroxy-1H-pyridin-2-one
PubChem CID19844408
Molecular FormulaC11H9NO4S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC Name5-(benzenesulfonyl)-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(S(=O)(=O)c2ccccc2)cc1O
InChIInChI=1S/C11H9NO4S/c13-10-6-9(7-12-11(10)14)17(15,16)8-4-2-1-3-5-8/h1-7,13H,(H,12,14)
InChIKeyUOWIFSMGRDVJTL-UHFFFAOYSA-N
XLogP0.91
TPSA87.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-3-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-(benzenesulfonyl)-3-hydroxy-1H-pyridin-2-one (CID 19844408) is 5-(benzenesulfonyl)-3-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-(benzenesulfonyl)-3-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-(benzenesulfonyl)-3-hydroxy-1H-pyridin-2-one is O=c1[nH]cc(S(=O)(=O)c2ccccc2)cc1O.
What is the InChIKey of 5-(benzenesulfonyl)-3-hydroxy-1H-pyridin-2-one?
The InChIKey is UOWIFSMGRDVJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S/c13-10-6-9(7-12-11(10)14)17(15,16)8-4-2-1-3-5-8/h1-7,13H,(H,12,14).
What are the key properties of 5-(benzenesulfonyl)-3-hydroxy-1H-pyridin-2-one?
5-(benzenesulfonyl)-3-hydroxy-1H-pyridin-2-one has a molecular weight of 251.26 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-3-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 19844408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).