3-(benzenesulfonyl)-1-benzyl-4-methyl-6-phenylpyridin-2-one

C25H21NO3S — CID 3746369

IUPAC3-(benzenesulfonyl)-1-benzyl-4-methyl-6-phenylpyridin-2-one
SMILESCc1cc(-c2ccccc2)n(Cc2ccccc2)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H21NO3S/c1-19-17-23(21-13-7-3-8-14-21)26(18-20-11-5-2-6-12-20)25(27)24(19)30(28,29)22-15-9-4-10-16-22/h2-17H,18H2,1H3
InChIKeyHGFBODQXMGNAAQ-UHFFFAOYSA-N
MW415.51 g/mol
LogP4.70
Rot. Bonds5

About 3-(benzenesulfonyl)-1-benzyl-4-methyl-6-phenylpyridin-2-one

3-(benzenesulfonyl)-1-benzyl-4-methyl-6-phenylpyridin-2-one (PubChem CID 3746369) has the molecular formula C25H21NO3S and a molecular weight of 415.51 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-benzyl-4-methyl-6-phenylpyridin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-benzyl-4-methyl-6-phenylpyridin-2-one
PubChem CID3746369
Molecular FormulaC25H21NO3S
Molecular Weight415.51 g/mol
Exact Mass415.12
IUPAC Name3-(benzenesulfonyl)-1-benzyl-4-methyl-6-phenylpyridin-2-one
SMILESCc1cc(-c2ccccc2)n(Cc2ccccc2)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H21NO3S/c1-19-17-23(21-13-7-3-8-14-21)26(18-20-11-5-2-6-12-20)25(27)24(19)30(28,29)22-15-9-4-10-16-22/h2-17H,18H2,1H3
InChIKeyHGFBODQXMGNAAQ-UHFFFAOYSA-N
XLogP4.70
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-benzyl-4-methyl-6-phenylpyridin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-1-benzyl-4-methyl-6-phenylpyridin-2-one (CID 3746369) is 3-(benzenesulfonyl)-1-benzyl-4-methyl-6-phenylpyridin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-1-benzyl-4-methyl-6-phenylpyridin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-1-benzyl-4-methyl-6-phenylpyridin-2-one is Cc1cc(-c2ccccc2)n(Cc2ccccc2)c(=O)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-1-benzyl-4-methyl-6-phenylpyridin-2-one?
The InChIKey is HGFBODQXMGNAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3S/c1-19-17-23(21-13-7-3-8-14-21)26(18-20-11-5-2-6-12-20)25(27)24(19)30(28,29)22-15-9-4-10-16-22/h2-17H,18H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-1-benzyl-4-methyl-6-phenylpyridin-2-one?
3-(benzenesulfonyl)-1-benzyl-4-methyl-6-phenylpyridin-2-one has a molecular weight of 415.51 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-benzyl-4-methyl-6-phenylpyridin-2-one is sourced from PubChem (CID 3746369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).