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

C14H15NO3S — CID 3762987

IUPAC4,6-dimethyl-3-(4-methylphenyl)sulfonyl-1H-pyridin-2-one
SMILESCc1ccc(S(=O)(=O)c2c(C)cc(C)[nH]c2=O)cc1
InChIInChI=1S/C14H15NO3S/c1-9-4-6-12(7-5-9)19(17,18)13-10(2)8-11(3)15-14(13)16/h4-8H,1-3H3,(H,15,16)
InChIKeyJVJBLOXAJVYXEK-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.13
Rot. Bonds2

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

4,6-dimethyl-3-(4-methylphenyl)sulfonyl-1H-pyridin-2-one (PubChem CID 3762987) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-(4-methylphenyl)sulfonyl-1H-pyridin-2-one
PubChem CID3762987
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name4,6-dimethyl-3-(4-methylphenyl)sulfonyl-1H-pyridin-2-one
SMILESCc1ccc(S(=O)(=O)c2c(C)cc(C)[nH]c2=O)cc1
InChIInChI=1S/C14H15NO3S/c1-9-4-6-12(7-5-9)19(17,18)13-10(2)8-11(3)15-14(13)16/h4-8H,1-3H3,(H,15,16)
InChIKeyJVJBLOXAJVYXEK-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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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-1H-pyridin-2-one (CID 3762987) is 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-1H-pyridin-2-one is Cc1ccc(S(=O)(=O)c2c(C)cc(C)[nH]c2=O)cc1.
What is the InChIKey of 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-1H-pyridin-2-one?
The InChIKey is JVJBLOXAJVYXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-9-4-6-12(7-5-9)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-(4-methylphenyl)sulfonyl-1H-pyridin-2-one?
4,6-dimethyl-3-(4-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-(4-methylphenyl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 3762987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).