3-(4-fluorophenyl)sulfonylchromen-2-one

C15H9FO4S — CID 2135467

IUPAC3-(4-fluorophenyl)sulfonylchromen-2-one
SMILESO=c1oc2ccccc2cc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H9FO4S/c16-11-5-7-12(8-6-11)21(18,19)14-9-10-3-1-2-4-13(10)20-15(14)17/h1-9H
InChIKeyKWHVORJEDPNDEL-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.76
Rot. Bonds2

About 3-(4-fluorophenyl)sulfonylchromen-2-one

3-(4-fluorophenyl)sulfonylchromen-2-one (PubChem CID 2135467) has the molecular formula C15H9FO4S and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonylchromen-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonylchromen-2-one
PubChem CID2135467
Molecular FormulaC15H9FO4S
Molecular Weight304.30 g/mol
Exact Mass304.02
IUPAC Name3-(4-fluorophenyl)sulfonylchromen-2-one
SMILESO=c1oc2ccccc2cc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H9FO4S/c16-11-5-7-12(8-6-11)21(18,19)14-9-10-3-1-2-4-13(10)20-15(14)17/h1-9H
InChIKeyKWHVORJEDPNDEL-UHFFFAOYSA-N
XLogP2.76
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonylchromen-2-one?
The IUPAC name of 3-(4-fluorophenyl)sulfonylchromen-2-one (CID 2135467) is 3-(4-fluorophenyl)sulfonylchromen-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonylchromen-2-one?
The canonical SMILES for 3-(4-fluorophenyl)sulfonylchromen-2-one is O=c1oc2ccccc2cc1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonylchromen-2-one?
The InChIKey is KWHVORJEDPNDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FO4S/c16-11-5-7-12(8-6-11)21(18,19)14-9-10-3-1-2-4-13(10)20-15(14)17/h1-9H.
What are the key properties of 3-(4-fluorophenyl)sulfonylchromen-2-one?
3-(4-fluorophenyl)sulfonylchromen-2-one has a molecular weight of 304.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonylchromen-2-one is sourced from PubChem (CID 2135467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).