3-(4-methylsulfonylphenyl)-6-phenyl-4-pyridin-3-ylpyran-2-one

C23H17NO4S — CID 11475166

IUPAC3-(4-methylsulfonylphenyl)-6-phenyl-4-pyridin-3-ylpyran-2-one
SMILESCS(=O)(=O)c1ccc(-c2c(-c3cccnc3)cc(-c3ccccc3)oc2=O)cc1
InChIInChI=1S/C23H17NO4S/c1-29(26,27)19-11-9-17(10-12-19)22-20(18-8-5-13-24-15-18)14-21(28-23(22)25)16-6-3-2-4-7-16/h2-15H,1H3
InChIKeyKBTNUIBNCVVZKJ-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.44
Rot. Bonds4

About 3-(4-methylsulfonylphenyl)-6-phenyl-4-pyridin-3-ylpyran-2-one

3-(4-methylsulfonylphenyl)-6-phenyl-4-pyridin-3-ylpyran-2-one (PubChem CID 11475166) has the molecular formula C23H17NO4S and a molecular weight of 403.46 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-6-phenyl-4-pyridin-3-ylpyran-2-one.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-6-phenyl-4-pyridin-3-ylpyran-2-one
PubChem CID11475166
Molecular FormulaC23H17NO4S
Molecular Weight403.46 g/mol
Exact Mass403.09
IUPAC Name3-(4-methylsulfonylphenyl)-6-phenyl-4-pyridin-3-ylpyran-2-one
SMILESCS(=O)(=O)c1ccc(-c2c(-c3cccnc3)cc(-c3ccccc3)oc2=O)cc1
InChIInChI=1S/C23H17NO4S/c1-29(26,27)19-11-9-17(10-12-19)22-20(18-8-5-13-24-15-18)14-21(28-23(22)25)16-6-3-2-4-7-16/h2-15H,1H3
InChIKeyKBTNUIBNCVVZKJ-UHFFFAOYSA-N
XLogP4.44
TPSA77.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-6-phenyl-4-pyridin-3-ylpyran-2-one?
The IUPAC name of 3-(4-methylsulfonylphenyl)-6-phenyl-4-pyridin-3-ylpyran-2-one (CID 11475166) is 3-(4-methylsulfonylphenyl)-6-phenyl-4-pyridin-3-ylpyran-2-one.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-6-phenyl-4-pyridin-3-ylpyran-2-one?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-6-phenyl-4-pyridin-3-ylpyran-2-one is CS(=O)(=O)c1ccc(-c2c(-c3cccnc3)cc(-c3ccccc3)oc2=O)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-6-phenyl-4-pyridin-3-ylpyran-2-one?
The InChIKey is KBTNUIBNCVVZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4S/c1-29(26,27)19-11-9-17(10-12-19)22-20(18-8-5-13-24-15-18)14-21(28-23(22)25)16-6-3-2-4-7-16/h2-15H,1H3.
What are the key properties of 3-(4-methylsulfonylphenyl)-6-phenyl-4-pyridin-3-ylpyran-2-one?
3-(4-methylsulfonylphenyl)-6-phenyl-4-pyridin-3-ylpyran-2-one has a molecular weight of 403.46 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-6-phenyl-4-pyridin-3-ylpyran-2-one is sourced from PubChem (CID 11475166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).