4,6-dimethyl-3-(2-propan-2-ylphenyl)sulfonyl-1H-pyridin-2-one

C16H19NO3S — CID 4669628

IUPAC4,6-dimethyl-3-(2-propan-2-ylphenyl)sulfonyl-1H-pyridin-2-one
SMILESCc1cc(C)c(S(=O)(=O)c2ccccc2C(C)C)c(=O)[nH]1
InChIInChI=1S/C16H19NO3S/c1-10(2)13-7-5-6-8-14(13)21(19,20)15-11(3)9-12(4)17-16(15)18/h5-10H,1-4H3,(H,17,18)
InChIKeyOKRMBLLBXGEUJW-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.95
Rot. Bonds3

About 4,6-dimethyl-3-(2-propan-2-ylphenyl)sulfonyl-1H-pyridin-2-one

4,6-dimethyl-3-(2-propan-2-ylphenyl)sulfonyl-1H-pyridin-2-one (PubChem CID 4669628) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4,6-dimethyl-3-(2-propan-2-ylphenyl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-(2-propan-2-ylphenyl)sulfonyl-1H-pyridin-2-one
PubChem CID4669628
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name4,6-dimethyl-3-(2-propan-2-ylphenyl)sulfonyl-1H-pyridin-2-one
SMILESCc1cc(C)c(S(=O)(=O)c2ccccc2C(C)C)c(=O)[nH]1
InChIInChI=1S/C16H19NO3S/c1-10(2)13-7-5-6-8-14(13)21(19,20)15-11(3)9-12(4)17-16(15)18/h5-10H,1-4H3,(H,17,18)
InChIKeyOKRMBLLBXGEUJW-UHFFFAOYSA-N
XLogP2.95
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,6-dimethyl-3-(2-propan-2-ylphenyl)sulfonyl-1H-pyridin-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-propan-2-ylphenyl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-(2-propan-2-ylphenyl)sulfonyl-1H-pyridin-2-one (CID 4669628) is 4,6-dimethyl-3-(2-propan-2-ylphenyl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-(2-propan-2-ylphenyl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-(2-propan-2-ylphenyl)sulfonyl-1H-pyridin-2-one is Cc1cc(C)c(S(=O)(=O)c2ccccc2C(C)C)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-(2-propan-2-ylphenyl)sulfonyl-1H-pyridin-2-one?
The InChIKey is OKRMBLLBXGEUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-10(2)13-7-5-6-8-14(13)21(19,20)15-11(3)9-12(4)17-16(15)18/h5-10H,1-4H3,(H,17,18).
What are the key properties of 4,6-dimethyl-3-(2-propan-2-ylphenyl)sulfonyl-1H-pyridin-2-one?
4,6-dimethyl-3-(2-propan-2-ylphenyl)sulfonyl-1H-pyridin-2-one has a molecular weight of 305.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-(2-propan-2-ylphenyl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 4669628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).