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

C14H15NO3S — CID 4577671

IUPAC4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1H-pyridin-2-one
SMILESCc1cc(C)c(S(=O)(=O)c2ccccc2C)c(=O)[nH]1
InChIInChI=1S/C14H15NO3S/c1-9-6-4-5-7-12(9)19(17,18)13-10(2)8-11(3)15-14(13)16/h4-8H,1-3H3,(H,15,16)
InChIKeyPKEIAMUZETVLJL-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.13
Rot. Bonds2

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

4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1H-pyridin-2-one (PubChem CID 4577671) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1H-pyridin-2-one
PubChem CID4577671
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1H-pyridin-2-one
SMILESCc1cc(C)c(S(=O)(=O)c2ccccc2C)c(=O)[nH]1
InChIInChI=1S/C14H15NO3S/c1-9-6-4-5-7-12(9)19(17,18)13-10(2)8-11(3)15-14(13)16/h4-8H,1-3H3,(H,15,16)
InChIKeyPKEIAMUZETVLJL-UHFFFAOYSA-N
XLogP2.13
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(2-methylphenyl)sulfonylbenzene-1,2-diol
CID 101301646
1,2-dichloro-3,4,5-trimethyl-6-(2-methylphenyl)sulfonylbenzene
CID 91456082
2-methylbenzenesulfonamide
CID 6924
2-methylbenzenesulfonic acid
CID 6925
1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene
CID 23312101
2-(2-hydroxyphenyl)sulfonyl-3-methylphenol
CID 101301572
2-benzylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine
CID 4081841
3,5-dimethyl-1,4-bis[(2-methylphenyl)sulfonyl]pyrazole
CID 135066481
2-methylbenzenesulfonic acid;hydroiodide
CID 173271723
ethane;2-methylbenzenesulfonic acid
CID 54049338
2-methylbenzenesulfonic acid;nickel
CID 174250296
1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
CID 562883

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1H-pyridin-2-one (CID 4577671) is 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1H-pyridin-2-one is Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1H-pyridin-2-one?
The InChIKey is PKEIAMUZETVLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-9-6-4-5-7-12(9)19(17,18)13-10(2)8-11(3)15-14(13)16/h4-8H,1-3H3,(H,15,16).
What are the key properties of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1H-pyridin-2-one?
4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1H-pyridin-2-one has a molecular weight of 277.35 g/mol, XLogP of 2.13, 2 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-methylphenyl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 4577671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).