3-(benzenesulfonyl)-4-methyl-6-phenyl-1H-pyridin-2-one

C18H15NO3S — CID 4638335

IUPAC3-(benzenesulfonyl)-4-methyl-6-phenyl-1H-pyridin-2-one
SMILESCc1cc(-c2ccccc2)[nH]c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15NO3S/c1-13-12-16(14-8-4-2-5-9-14)19-18(20)17(13)23(21,22)15-10-6-3-7-11-15/h2-12H,1H3,(H,19,20)
InChIKeyKRADWPBKFKNSCZ-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.18
Rot. Bonds3

About 3-(benzenesulfonyl)-4-methyl-6-phenyl-1H-pyridin-2-one

3-(benzenesulfonyl)-4-methyl-6-phenyl-1H-pyridin-2-one (PubChem CID 4638335) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-methyl-6-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-methyl-6-phenyl-1H-pyridin-2-one
PubChem CID4638335
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name3-(benzenesulfonyl)-4-methyl-6-phenyl-1H-pyridin-2-one
SMILESCc1cc(-c2ccccc2)[nH]c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15NO3S/c1-13-12-16(14-8-4-2-5-9-14)19-18(20)17(13)23(21,22)15-10-6-3-7-11-15/h2-12H,1H3,(H,19,20)
InChIKeyKRADWPBKFKNSCZ-UHFFFAOYSA-N
XLogP3.18
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4-methyl-6-phenyl-1H-pyridin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-4-methyl-6-phenyl-1H-pyridin-2-one (CID 4638335) is 3-(benzenesulfonyl)-4-methyl-6-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-4-methyl-6-phenyl-1H-pyridin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-4-methyl-6-phenyl-1H-pyridin-2-one is Cc1cc(-c2ccccc2)[nH]c(=O)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-4-methyl-6-phenyl-1H-pyridin-2-one?
The InChIKey is KRADWPBKFKNSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-13-12-16(14-8-4-2-5-9-14)19-18(20)17(13)23(21,22)15-10-6-3-7-11-15/h2-12H,1H3,(H,19,20).
What are the key properties of 3-(benzenesulfonyl)-4-methyl-6-phenyl-1H-pyridin-2-one?
3-(benzenesulfonyl)-4-methyl-6-phenyl-1H-pyridin-2-one has a molecular weight of 325.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4-methyl-6-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 4638335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).