4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one

C17H13FO4S — CID 10830394

IUPAC4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)OC2)cc1
InChIInChI=1S/C17H13FO4S/c1-23(20,21)14-8-4-11(5-9-14)15-10-22-17(19)16(15)12-2-6-13(18)7-3-12/h2-9H,10H2,1H3
InChIKeyZRCURVJXQGLLOZ-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.70
Rot. Bonds3

About 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one

4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one (PubChem CID 10830394) has the molecular formula C17H13FO4S and a molecular weight of 332.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one
PubChem CID10830394
Molecular FormulaC17H13FO4S
Molecular Weight332.35 g/mol
Exact Mass332.05
IUPAC Name4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)OC2)cc1
InChIInChI=1S/C17H13FO4S/c1-23(20,21)14-8-4-11(5-9-14)15-10-22-17(19)16(15)12-2-6-13(18)7-3-12/h2-9H,10H2,1H3
InChIKeyZRCURVJXQGLLOZ-UHFFFAOYSA-N
XLogP2.70
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one?
The IUPAC name of 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one (CID 10830394) is 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one?
The canonical SMILES for 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one is CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)OC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one?
The InChIKey is ZRCURVJXQGLLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO4S/c1-23(20,21)14-8-4-11(5-9-14)15-10-22-17(19)16(15)12-2-6-13(18)7-3-12/h2-9H,10H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one?
4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one has a molecular weight of 332.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one is sourced from PubChem (CID 10830394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).