3-(benzenesulfonyl)-1,4,6-trimethylpyridin-2-one

C14H15NO3S — CID 1483836

IUPAC3-(benzenesulfonyl)-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15NO3S/c1-10-9-11(2)15(3)14(16)13(10)19(17,18)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKeySPYRBQKPFRPRKB-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.83
Rot. Bonds2

About 3-(benzenesulfonyl)-1,4,6-trimethylpyridin-2-one

3-(benzenesulfonyl)-1,4,6-trimethylpyridin-2-one (PubChem CID 1483836) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1,4,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1,4,6-trimethylpyridin-2-one
PubChem CID1483836
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name3-(benzenesulfonyl)-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15NO3S/c1-10-9-11(2)15(3)14(16)13(10)19(17,18)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKeySPYRBQKPFRPRKB-UHFFFAOYSA-N
XLogP1.83
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1,4,6-trimethylpyridin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-1,4,6-trimethylpyridin-2-one (CID 1483836) is 3-(benzenesulfonyl)-1,4,6-trimethylpyridin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-1,4,6-trimethylpyridin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-1,4,6-trimethylpyridin-2-one is Cc1cc(C)n(C)c(=O)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-1,4,6-trimethylpyridin-2-one?
The InChIKey is SPYRBQKPFRPRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-10-9-11(2)15(3)14(16)13(10)19(17,18)12-7-5-4-6-8-12/h4-9H,1-3H3.
What are the key properties of 3-(benzenesulfonyl)-1,4,6-trimethylpyridin-2-one?
3-(benzenesulfonyl)-1,4,6-trimethylpyridin-2-one has a molecular weight of 277.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1,4,6-trimethylpyridin-2-one is sourced from PubChem (CID 1483836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).