5-benzylsulfonyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one

C15H17NO4S — CID 20574979

IUPAC5-benzylsulfonyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one
SMILESCCn1c(O)c(S(=O)(=O)Cc2ccccc2)c(C)cc1=O
InChIInChI=1S/C15H17NO4S/c1-3-16-13(17)9-11(2)14(15(16)18)21(19,20)10-12-7-5-4-6-8-12/h4-9,18H,3,10H2,1-2H3
InChIKeyKEEKJMNZKHJDRK-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.86
Rot. Bonds4

About 5-benzylsulfonyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one

5-benzylsulfonyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one (PubChem CID 20574979) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 5-benzylsulfonyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-benzylsulfonyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one
PubChem CID20574979
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name5-benzylsulfonyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one
SMILESCCn1c(O)c(S(=O)(=O)Cc2ccccc2)c(C)cc1=O
InChIInChI=1S/C15H17NO4S/c1-3-16-13(17)9-11(2)14(15(16)18)21(19,20)10-12-7-5-4-6-8-12/h4-9,18H,3,10H2,1-2H3
InChIKeyKEEKJMNZKHJDRK-UHFFFAOYSA-N
XLogP1.86
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(1,1-dioxidotetrahydro-3-thienyl)-N-methyl-3-phenylacrylamide
CID 5735467
1-Methyl-4-[(3-methylphenyl)methylsulfonylmethyl]pyridin-2-one
CID 75461654
4-(Benzylsulfonylmethyl)-1-methylpyridin-2-one
CID 75461657
4-[(3-Fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one
CID 75461658
N,N-diethyl-2-[(4-methylphenyl)sulfonyl]acetamide
CID 285628
N-methyl-N-(2-methyl-3-phenylprop-2-enyl)-1,1-dioxothiane-4-carboxamide
CID 136536029
5-(benzylsulfonyl)-3-hydroxypyridin-2(1H)-one
CID 71187214
5-Fluoro-4-(4-methylphenyl)-1-(3-methylsulfonylbutyl)pyridin-2-one
CID 129018678
(2E)-2-[(E)-3-(4-fluorophenyl)prop-2-enylidene]-4-methyl-1,1-dioxo-1,4-thiazinan-3-one
CID 139554455

Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfonyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 5-benzylsulfonyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one (CID 20574979) is 5-benzylsulfonyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 5-benzylsulfonyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 5-benzylsulfonyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one is CCn1c(O)c(S(=O)(=O)Cc2ccccc2)c(C)cc1=O.
What is the InChIKey of 5-benzylsulfonyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one?
The InChIKey is KEEKJMNZKHJDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-3-16-13(17)9-11(2)14(15(16)18)21(19,20)10-12-7-5-4-6-8-12/h4-9,18H,3,10H2,1-2H3.
What are the key properties of 5-benzylsulfonyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one?
5-benzylsulfonyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one has a molecular weight of 307.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfonyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 20574979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).