4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one

C17H21NO3S — CID 1483857

IUPAC4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one
SMILESCc1ccccc1S(=O)(=O)c1c(C)cc(C)n(C(C)C)c1=O
InChIInChI=1S/C17H21NO3S/c1-11(2)18-14(5)10-13(4)16(17(18)19)22(20,21)15-9-7-6-8-12(15)3/h6-11H,1-5H3
InChIKeyVMBQNRFBFZYWDC-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.19
Rot. Bonds3

About 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one

4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one (PubChem CID 1483857) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one
PubChem CID1483857
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one
SMILESCc1ccccc1S(=O)(=O)c1c(C)cc(C)n(C(C)C)c1=O
InChIInChI=1S/C17H21NO3S/c1-11(2)18-14(5)10-13(4)16(17(18)19)22(20,21)15-9-7-6-8-12(15)3/h6-11H,1-5H3
InChIKeyVMBQNRFBFZYWDC-UHFFFAOYSA-N
XLogP3.19
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one (CID 1483857) is 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one is Cc1ccccc1S(=O)(=O)c1c(C)cc(C)n(C(C)C)c1=O.
What is the InChIKey of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one?
The InChIKey is VMBQNRFBFZYWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-11(2)18-14(5)10-13(4)16(17(18)19)22(20,21)15-9-7-6-8-12(15)3/h6-11H,1-5H3.
What are the key properties of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one?
4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one has a molecular weight of 319.43 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 1483857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).