5-(benzenesulfonyl)-6-hydroxy-1,4-dimethylpyridin-2-one

C13H13NO4S — CID 20574973

IUPAC5-(benzenesulfonyl)-6-hydroxy-1,4-dimethylpyridin-2-one
SMILESCc1cc(=O)n(C)c(O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13NO4S/c1-9-8-11(15)14(2)13(16)12(9)19(17,18)10-6-4-3-5-7-10/h3-8,16H,1-2H3
InChIKeyMVSBAVFJAXZDPF-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.23
Rot. Bonds2

About 5-(benzenesulfonyl)-6-hydroxy-1,4-dimethylpyridin-2-one

5-(benzenesulfonyl)-6-hydroxy-1,4-dimethylpyridin-2-one (PubChem CID 20574973) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-6-hydroxy-1,4-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-(benzenesulfonyl)-6-hydroxy-1,4-dimethylpyridin-2-one
PubChem CID20574973
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name5-(benzenesulfonyl)-6-hydroxy-1,4-dimethylpyridin-2-one
SMILESCc1cc(=O)n(C)c(O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13NO4S/c1-9-8-11(15)14(2)13(16)12(9)19(17,18)10-6-4-3-5-7-10/h3-8,16H,1-2H3
InChIKeyMVSBAVFJAXZDPF-UHFFFAOYSA-N
XLogP1.23
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-6-hydroxy-1,4-dimethylpyridin-2-one?
The IUPAC name of 5-(benzenesulfonyl)-6-hydroxy-1,4-dimethylpyridin-2-one (CID 20574973) is 5-(benzenesulfonyl)-6-hydroxy-1,4-dimethylpyridin-2-one.
What is the SMILES notation for 5-(benzenesulfonyl)-6-hydroxy-1,4-dimethylpyridin-2-one?
The canonical SMILES for 5-(benzenesulfonyl)-6-hydroxy-1,4-dimethylpyridin-2-one is Cc1cc(=O)n(C)c(O)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-6-hydroxy-1,4-dimethylpyridin-2-one?
The InChIKey is MVSBAVFJAXZDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-9-8-11(15)14(2)13(16)12(9)19(17,18)10-6-4-3-5-7-10/h3-8,16H,1-2H3.
What are the key properties of 5-(benzenesulfonyl)-6-hydroxy-1,4-dimethylpyridin-2-one?
5-(benzenesulfonyl)-6-hydroxy-1,4-dimethylpyridin-2-one has a molecular weight of 279.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-6-hydroxy-1,4-dimethylpyridin-2-one is sourced from PubChem (CID 20574973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).