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

C21H14FNO4S — CID 18324965

IUPAC7-fluoro-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one
SMILESCS(=O)(=O)c1ccc(-c2oc3cc(F)ccc3c(=O)c2-c2cccnc2)cc1
InChIInChI=1S/C21H14FNO4S/c1-28(25,26)16-7-4-13(5-8-16)21-19(14-3-2-10-23-12-14)20(24)17-9-6-15(22)11-18(17)27-21/h2-12H,1H3
InChIKeyFBVMZOWDCIPZNI-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.06
Rot. Bonds3

About 7-fluoro-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one

7-fluoro-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one (PubChem CID 18324965) has the molecular formula C21H14FNO4S and a molecular weight of 395.41 g/mol. Its IUPAC name is 7-fluoro-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one.

Molecular Properties

Compound Name7-fluoro-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one
PubChem CID18324965
Molecular FormulaC21H14FNO4S
Molecular Weight395.41 g/mol
Exact Mass395.06
IUPAC Name7-fluoro-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one
SMILESCS(=O)(=O)c1ccc(-c2oc3cc(F)ccc3c(=O)c2-c2cccnc2)cc1
InChIInChI=1S/C21H14FNO4S/c1-28(25,26)16-7-4-13(5-8-16)21-19(14-3-2-10-23-12-14)20(24)17-9-6-15(22)11-18(17)27-21/h2-12H,1H3
InChIKeyFBVMZOWDCIPZNI-UHFFFAOYSA-N
XLogP4.06
TPSA77.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one?
The IUPAC name of 7-fluoro-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one (CID 18324965) is 7-fluoro-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one.
What is the SMILES notation for 7-fluoro-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one?
The canonical SMILES for 7-fluoro-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one is CS(=O)(=O)c1ccc(-c2oc3cc(F)ccc3c(=O)c2-c2cccnc2)cc1.
What is the InChIKey of 7-fluoro-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one?
The InChIKey is FBVMZOWDCIPZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO4S/c1-28(25,26)16-7-4-13(5-8-16)21-19(14-3-2-10-23-12-14)20(24)17-9-6-15(22)11-18(17)27-21/h2-12H,1H3.
What are the key properties of 7-fluoro-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one?
7-fluoro-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one has a molecular weight of 395.41 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one is sourced from PubChem (CID 18324965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).