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

C13H13NO3S — CID 2766974

IUPAC3-(benzenesulfonyl)-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(S(=O)(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H13NO3S/c1-9-8-10(2)14-13(15)12(9)18(16,17)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)
InChIKeyCPEXOJPJKDYPDN-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.82
Rot. Bonds2

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

3-(benzenesulfonyl)-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 2766974) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4,6-dimethyl-1H-pyridin-2-one
PubChem CID2766974
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name3-(benzenesulfonyl)-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(S(=O)(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H13NO3S/c1-9-8-10(2)14-13(15)12(9)18(16,17)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)
InChIKeyCPEXOJPJKDYPDN-UHFFFAOYSA-N
XLogP1.82
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-4,6-dimethyl-1H-pyridin-2-one (CID 2766974) is 3-(benzenesulfonyl)-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(S(=O)(=O)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-(benzenesulfonyl)-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is CPEXOJPJKDYPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-9-8-10(2)14-13(15)12(9)18(16,17)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15).
What are the key properties of 3-(benzenesulfonyl)-4,6-dimethyl-1H-pyridin-2-one?
3-(benzenesulfonyl)-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 263.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 2766974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).