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

C18H23NO3S — CID 3740446

IUPAC1-butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one
SMILESCCCCn1c(C)cc(C)c(S(=O)(=O)c2ccccc2C)c1=O
InChIInChI=1S/C18H23NO3S/c1-5-6-11-19-15(4)12-14(3)17(18(19)20)23(21,22)16-10-8-7-9-13(16)2/h7-10,12H,5-6,11H2,1-4H3
InChIKeyRVNMUGNFFPMVOU-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.41
Rot. Bonds5

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

1-butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one (PubChem CID 3740446) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one.

Molecular Properties

Compound Name1-butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one
PubChem CID3740446
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name1-butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one
SMILESCCCCn1c(C)cc(C)c(S(=O)(=O)c2ccccc2C)c1=O
InChIInChI=1S/C18H23NO3S/c1-5-6-11-19-15(4)12-14(3)17(18(19)20)23(21,22)16-10-8-7-9-13(16)2/h7-10,12H,5-6,11H2,1-4H3
InChIKeyRVNMUGNFFPMVOU-UHFFFAOYSA-N
XLogP3.41
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.41
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
4,6-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
1,4,6-trimethyl-3-[(2-methylphenyl)sulfonyl]-2(1H)-pyridinone
CID 1483847
4,6-dimethyl-3-[(2-methylphenyl)sulfonyl]-1-(2-methyl-2-propenyl)-2(1H)-pyridinone
CID 3713712
N-cyclohexyl-N-methyl-3-[(4-methylphenyl)sulfonyl]propanamide
CID 6457597
3-[(2-isopropylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 4669628
3-[(2,5-dimethylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 1487318
4,6-dimethyl-3-(phenylsulfonyl)-1-(2-propynyl)-2(1H)-pyridinone
CID 3796451
4,6-dimethyl-3-[(3-methylphenyl)sulfonyl]-1-(2-methyl-2-propenyl)-2(1H)-pyridinone
CID 1483842
1-isobutyl-4,6-dimethyl-3-[(2-methylphenyl)sulfonyl]-2(1H)-pyridinone
CID 1483856

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one?
The IUPAC name of 1-butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one (CID 3740446) is 1-butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one.
What is the SMILES notation for 1-butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one?
The canonical SMILES for 1-butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one is CCCCn1c(C)cc(C)c(S(=O)(=O)c2ccccc2C)c1=O.
What is the InChIKey of 1-butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one?
The InChIKey is RVNMUGNFFPMVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-5-6-11-19-15(4)12-14(3)17(18(19)20)23(21,22)16-10-8-7-9-13(16)2/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of 1-butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one?
1-butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one has a molecular weight of 333.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridin-2-one is sourced from PubChem (CID 3740446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).