(5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-(naphthalen-1-ylmethylidene)furan-2-one

C28H19FO4S — CID 71740939

IUPAC(5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-(naphthalen-1-ylmethylidene)furan-2-one
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)O/C2=C\c2cccc3ccccc23)cc1
InChIInChI=1S/C28H19FO4S/c1-34(31,32)23-15-11-19(12-16-23)26-25(17-21-7-4-6-18-5-2-3-8-24(18)21)33-28(30)27(26)20-9-13-22(29)14-10-20/h2-17H,1H3/b25-17-
InChIKeyYRECROCBACNDNR-UQQQWYQISA-N
MW470.52 g/mol
LogP5.89
Rot. Bonds4

About (5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-(naphthalen-1-ylmethylidene)furan-2-one

(5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-(naphthalen-1-ylmethylidene)furan-2-one (PubChem CID 71740939) has the molecular formula C28H19FO4S and a molecular weight of 470.52 g/mol. Its IUPAC name is (5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-(naphthalen-1-ylmethylidene)furan-2-one.

Molecular Properties

Compound Name(5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-(naphthalen-1-ylmethylidene)furan-2-one
PubChem CID71740939
Molecular FormulaC28H19FO4S
Molecular Weight470.52 g/mol
Exact Mass470.10
IUPAC Name(5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-(naphthalen-1-ylmethylidene)furan-2-one
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)O/C2=C\c2cccc3ccccc23)cc1
InChIInChI=1S/C28H19FO4S/c1-34(31,32)23-15-11-19(12-16-23)26-25(17-21-7-4-6-18-5-2-3-8-24(18)21)33-28(30)27(26)20-9-13-22(29)14-10-20/h2-17H,1H3/b25-17-
InChIKeyYRECROCBACNDNR-UQQQWYQISA-N
XLogP5.89
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.52
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one
CID 71740818
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)furan-2-one
CID 160610749
2-(4-fluorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 3109273
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18324902
(5Z)-3-(2-chlorophenyl)-4-(4-methylsulfonylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one
CID 71740477
4-(4-methylsulfonylphenyl)naphthalene-1-carbaldehyde
CID 171127399
(5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one
CID 71740479
(2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one
CID 5378595
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)chromene-4-thione
CID 18324932
(3Z,5E)-3,5-bis(naphthalen-1-ylmethylidene)piperidin-4-one
CID 102319550
3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-5-propoxyfuran-2-one
CID 21472745
4-(2-fluoro-4-methylsulfonylphenyl)-3-(4-fluorophenyl)-5,5-dimethylfuran-2-one
CID 10156493

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-(naphthalen-1-ylmethylidene)furan-2-one?
The IUPAC name of (5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-(naphthalen-1-ylmethylidene)furan-2-one (CID 71740939) is (5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-(naphthalen-1-ylmethylidene)furan-2-one.
What is the SMILES notation for (5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-(naphthalen-1-ylmethylidene)furan-2-one?
The canonical SMILES for (5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-(naphthalen-1-ylmethylidene)furan-2-one is CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)O/C2=C\c2cccc3ccccc23)cc1.
What is the InChIKey of (5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-(naphthalen-1-ylmethylidene)furan-2-one?
The InChIKey is YRECROCBACNDNR-UQQQWYQISA-N. The full InChI is InChI=1S/C28H19FO4S/c1-34(31,32)23-15-11-19(12-16-23)26-25(17-21-7-4-6-18-5-2-3-8-24(18)21)33-28(30)27(26)20-9-13-22(29)14-10-20/h2-17H,1H3/b25-17-.
What are the key properties of (5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-(naphthalen-1-ylmethylidene)furan-2-one?
(5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-(naphthalen-1-ylmethylidene)furan-2-one has a molecular weight of 470.52 g/mol, XLogP of 5.89, 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)-4-(4-methylsulfonylphenyl)-5-(naphthalen-1-ylmethylidene)furan-2-one is sourced from PubChem (CID 71740939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).