1,4,6-trimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one

C15H17NO3S — CID 1483847

IUPAC1,4,6-trimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one
SMILESCc1ccccc1S(=O)(=O)c1c(C)cc(C)n(C)c1=O
InChIInChI=1S/C15H17NO3S/c1-10-7-5-6-8-13(10)20(18,19)14-11(2)9-12(3)16(4)15(14)17/h5-9H,1-4H3
InChIKeyWKHZGMGFJAKICC-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.14
Rot. Bonds2

About 1,4,6-trimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one

1,4,6-trimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one (PubChem CID 1483847) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 1,4,6-trimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one.

Molecular Properties

Compound Name1,4,6-trimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one
PubChem CID1483847
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name1,4,6-trimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one
SMILESCc1ccccc1S(=O)(=O)c1c(C)cc(C)n(C)c1=O
InChIInChI=1S/C15H17NO3S/c1-10-7-5-6-8-13(10)20(18,19)14-11(2)9-12(3)16(4)15(14)17/h5-9H,1-4H3
InChIKeyWKHZGMGFJAKICC-UHFFFAOYSA-N
XLogP2.14
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-fluoro-2-methylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 1476554
3-[(4-fluoro-2-methylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 1476562
4,5,6-trimethyl-3-[(4-methylphenyl)sulfonyl]-2(1H)-pyridinone
CID 3646198
4,6-Dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one
CID 1483857
4,6-dimethyl-3-[(4-methylphenyl)sulfonyl]-1-(2-methyl-2-propenyl)-2(1H)-pyridinone
CID 1483839
4,6-dimethyl-3-[(2-methylphenyl)sulfonyl]-1-(2-methyl-2-propenyl)-2(1H)-pyridinone
CID 3713712
1-Butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-pyridinone
CID 3740446
3-[(2-isopropylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 4669628
3-[(2,4-dimethylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 1487308
3-[(2,5-dimethylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 1487318
3-[(2,3-dimethylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 1488505
4,6-dimethyl-3-[(4-methylphenyl)sulfonyl]-2(1H)-pyridinone
CID 3762987

Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one?
The IUPAC name of 1,4,6-trimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one (CID 1483847) is 1,4,6-trimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one.
What is the SMILES notation for 1,4,6-trimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one?
The canonical SMILES for 1,4,6-trimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one is Cc1ccccc1S(=O)(=O)c1c(C)cc(C)n(C)c1=O.
What is the InChIKey of 1,4,6-trimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one?
The InChIKey is WKHZGMGFJAKICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-10-7-5-6-8-13(10)20(18,19)14-11(2)9-12(3)16(4)15(14)17/h5-9H,1-4H3.
What are the key properties of 1,4,6-trimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one?
1,4,6-trimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one has a molecular weight of 291.37 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one is sourced from PubChem (CID 1483847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).