6-fluoro-3-(4-methylphenyl)sulfonylchromen-4-one

C16H11FO4S — CID 154714737

IUPAC6-fluoro-3-(4-methylphenyl)sulfonylchromen-4-one
SMILESCc1ccc(S(=O)(=O)c2coc3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C16H11FO4S/c1-10-2-5-12(6-3-10)22(19,20)15-9-21-14-7-4-11(17)8-13(14)16(15)18/h2-9H,1H3
InChIKeyVHBMRDAKNSOKOQ-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.07
Rot. Bonds2

About 6-fluoro-3-(4-methylphenyl)sulfonylchromen-4-one

6-fluoro-3-(4-methylphenyl)sulfonylchromen-4-one (PubChem CID 154714737) has the molecular formula C16H11FO4S and a molecular weight of 318.33 g/mol. Its IUPAC name is 6-fluoro-3-(4-methylphenyl)sulfonylchromen-4-one.

Molecular Properties

Compound Name6-fluoro-3-(4-methylphenyl)sulfonylchromen-4-one
PubChem CID154714737
Molecular FormulaC16H11FO4S
Molecular Weight318.33 g/mol
Exact Mass318.04
IUPAC Name6-fluoro-3-(4-methylphenyl)sulfonylchromen-4-one
SMILESCc1ccc(S(=O)(=O)c2coc3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C16H11FO4S/c1-10-2-5-12(6-3-10)22(19,20)15-9-21-14-7-4-11(17)8-13(14)16(15)18/h2-9H,1H3
InChIKeyVHBMRDAKNSOKOQ-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(4-methylphenyl)sulfonylchromen-4-one?
The IUPAC name of 6-fluoro-3-(4-methylphenyl)sulfonylchromen-4-one (CID 154714737) is 6-fluoro-3-(4-methylphenyl)sulfonylchromen-4-one.
What is the SMILES notation for 6-fluoro-3-(4-methylphenyl)sulfonylchromen-4-one?
The canonical SMILES for 6-fluoro-3-(4-methylphenyl)sulfonylchromen-4-one is Cc1ccc(S(=O)(=O)c2coc3ccc(F)cc3c2=O)cc1.
What is the InChIKey of 6-fluoro-3-(4-methylphenyl)sulfonylchromen-4-one?
The InChIKey is VHBMRDAKNSOKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO4S/c1-10-2-5-12(6-3-10)22(19,20)15-9-21-14-7-4-11(17)8-13(14)16(15)18/h2-9H,1H3.
What are the key properties of 6-fluoro-3-(4-methylphenyl)sulfonylchromen-4-one?
6-fluoro-3-(4-methylphenyl)sulfonylchromen-4-one has a molecular weight of 318.33 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(4-methylphenyl)sulfonylchromen-4-one is sourced from PubChem (CID 154714737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).