5-(2-butyl-5-methylsulfonylphenyl)-1-methylpyridin-2-one

C17H21NO3S — CID 118022247

IUPAC5-(2-butyl-5-methylsulfonylphenyl)-1-methylpyridin-2-one
SMILESCCCCc1ccc(S(C)(=O)=O)cc1-c1ccc(=O)n(C)c1
InChIInChI=1S/C17H21NO3S/c1-4-5-6-13-7-9-15(22(3,20)21)11-16(13)14-8-10-17(19)18(2)12-14/h7-12H,4-6H2,1-3H3
InChIKeyRGYMGNASNJIACV-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.80
Rot. Bonds5

About 5-(2-butyl-5-methylsulfonylphenyl)-1-methylpyridin-2-one

5-(2-butyl-5-methylsulfonylphenyl)-1-methylpyridin-2-one (PubChem CID 118022247) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 5-(2-butyl-5-methylsulfonylphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(2-butyl-5-methylsulfonylphenyl)-1-methylpyridin-2-one
PubChem CID118022247
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name5-(2-butyl-5-methylsulfonylphenyl)-1-methylpyridin-2-one
SMILESCCCCc1ccc(S(C)(=O)=O)cc1-c1ccc(=O)n(C)c1
InChIInChI=1S/C17H21NO3S/c1-4-5-6-13-7-9-15(22(3,20)21)11-16(13)14-8-10-17(19)18(2)12-14/h7-12H,4-6H2,1-3H3
InChIKeyRGYMGNASNJIACV-UHFFFAOYSA-N
XLogP2.80
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-butyl-5-methylsulfonylphenyl)-1-methylpyridin-2-one?
The IUPAC name of 5-(2-butyl-5-methylsulfonylphenyl)-1-methylpyridin-2-one (CID 118022247) is 5-(2-butyl-5-methylsulfonylphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(2-butyl-5-methylsulfonylphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 5-(2-butyl-5-methylsulfonylphenyl)-1-methylpyridin-2-one is CCCCc1ccc(S(C)(=O)=O)cc1-c1ccc(=O)n(C)c1.
What is the InChIKey of 5-(2-butyl-5-methylsulfonylphenyl)-1-methylpyridin-2-one?
The InChIKey is RGYMGNASNJIACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-4-5-6-13-7-9-15(22(3,20)21)11-16(13)14-8-10-17(19)18(2)12-14/h7-12H,4-6H2,1-3H3.
What are the key properties of 5-(2-butyl-5-methylsulfonylphenyl)-1-methylpyridin-2-one?
5-(2-butyl-5-methylsulfonylphenyl)-1-methylpyridin-2-one has a molecular weight of 319.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butyl-5-methylsulfonylphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 118022247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).