2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one

C21H15NO4S — CID 10429664

IUPAC2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one
SMILESCS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2cccnc2)cc1
InChIInChI=1S/C21H15NO4S/c1-27(24,25)16-10-8-14(9-11-16)21-19(15-5-4-12-22-13-15)20(23)17-6-2-3-7-18(17)26-21/h2-13H,1H3
InChIKeyUWEARNKVLYOLGY-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.93
Rot. Bonds3

About 2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one

2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one (PubChem CID 10429664) has the molecular formula C21H15NO4S and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one
PubChem CID10429664
Molecular FormulaC21H15NO4S
Molecular Weight377.42 g/mol
Exact Mass377.07
IUPAC Name2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one
SMILESCS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2cccnc2)cc1
InChIInChI=1S/C21H15NO4S/c1-27(24,25)16-10-8-14(9-11-16)21-19(15-5-4-12-22-13-15)20(23)17-6-2-3-7-18(17)26-21/h2-13H,1H3
InChIKeyUWEARNKVLYOLGY-UHFFFAOYSA-N
XLogP3.93
TPSA77.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one?
The IUPAC name of 2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one (CID 10429664) is 2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one is CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2cccnc2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one?
The InChIKey is UWEARNKVLYOLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4S/c1-27(24,25)16-10-8-14(9-11-16)21-19(15-5-4-12-22-13-15)20(23)17-6-2-3-7-18(17)26-21/h2-13H,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one?
2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one has a molecular weight of 377.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one is sourced from PubChem (CID 10429664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).