(5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one

C24H16F2O4S — CID 71740818

IUPAC(5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)O/C2=C\c2ccc(F)cc2)cc1
InChIInChI=1S/C24H16F2O4S/c1-31(28,29)20-12-6-16(7-13-20)22-21(14-15-2-8-18(25)9-3-15)30-24(27)23(22)17-4-10-19(26)11-5-17/h2-14H,1H3/b21-14-
InChIKeyNQFOQFDNYQXORA-STZFKDTASA-N
MW438.45 g/mol
LogP4.88
Rot. Bonds4

About (5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one

(5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one (PubChem CID 71740818) has the molecular formula C24H16F2O4S and a molecular weight of 438.45 g/mol. Its IUPAC name is (5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one.

Molecular Properties

Compound Name(5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one
PubChem CID71740818
Molecular FormulaC24H16F2O4S
Molecular Weight438.45 g/mol
Exact Mass438.07
IUPAC Name(5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)O/C2=C\c2ccc(F)cc2)cc1
InChIInChI=1S/C24H16F2O4S/c1-31(28,29)20-12-6-16(7-13-20)22-21(14-15-2-8-18(25)9-3-15)30-24(27)23(22)17-4-10-19(26)11-5-17/h2-14H,1H3/b21-14-
InChIKeyNQFOQFDNYQXORA-STZFKDTASA-N
XLogP4.88
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one?
The IUPAC name of (5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one (CID 71740818) is (5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one.
What is the SMILES notation for (5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one?
The canonical SMILES for (5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one is CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)O/C2=C\c2ccc(F)cc2)cc1.
What is the InChIKey of (5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one?
The InChIKey is NQFOQFDNYQXORA-STZFKDTASA-N. The full InChI is InChI=1S/C24H16F2O4S/c1-31(28,29)20-12-6-16(7-13-20)22-21(14-15-2-8-18(25)9-3-15)30-24(27)23(22)17-4-10-19(26)11-5-17/h2-14H,1H3/b21-14-.
What are the key properties of (5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one?
(5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one has a molecular weight of 438.45 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one is sourced from PubChem (CID 71740818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).