3-(4-chlorophenyl)sulfonyl-4-hydroxy-1,6-dimethylpyridin-2-one

C13H12ClNO4S — CID 54712817

IUPAC3-(4-chlorophenyl)sulfonyl-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(S(=O)(=O)c2ccc(Cl)cc2)c(=O)n1C
InChIInChI=1S/C13H12ClNO4S/c1-8-7-11(16)12(13(17)15(8)2)20(18,19)10-5-3-9(14)4-6-10/h3-7,16H,1-2H3
InChIKeyRLZBVYSOCSLXKU-UHFFFAOYSA-N
MW313.76 g/mol
LogP1.89
Rot. Bonds2

About 3-(4-chlorophenyl)sulfonyl-4-hydroxy-1,6-dimethylpyridin-2-one

3-(4-chlorophenyl)sulfonyl-4-hydroxy-1,6-dimethylpyridin-2-one (PubChem CID 54712817) has the molecular formula C13H12ClNO4S and a molecular weight of 313.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-4-hydroxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-4-hydroxy-1,6-dimethylpyridin-2-one
PubChem CID54712817
Molecular FormulaC13H12ClNO4S
Molecular Weight313.76 g/mol
Exact Mass313.02
IUPAC Name3-(4-chlorophenyl)sulfonyl-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(S(=O)(=O)c2ccc(Cl)cc2)c(=O)n1C
InChIInChI=1S/C13H12ClNO4S/c1-8-7-11(16)12(13(17)15(8)2)20(18,19)10-5-3-9(14)4-6-10/h3-7,16H,1-2H3
InChIKeyRLZBVYSOCSLXKU-UHFFFAOYSA-N
XLogP1.89
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-4-hydroxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-4-hydroxy-1,6-dimethylpyridin-2-one (CID 54712817) is 3-(4-chlorophenyl)sulfonyl-4-hydroxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-4-hydroxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-4-hydroxy-1,6-dimethylpyridin-2-one is Cc1cc(O)c(S(=O)(=O)c2ccc(Cl)cc2)c(=O)n1C.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-4-hydroxy-1,6-dimethylpyridin-2-one?
The InChIKey is RLZBVYSOCSLXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S/c1-8-7-11(16)12(13(17)15(8)2)20(18,19)10-5-3-9(14)4-6-10/h3-7,16H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-4-hydroxy-1,6-dimethylpyridin-2-one?
3-(4-chlorophenyl)sulfonyl-4-hydroxy-1,6-dimethylpyridin-2-one has a molecular weight of 313.76 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-4-hydroxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 54712817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).