(5Z)-5-[(4-chlorophenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one

C24H17ClO4S — CID 71740218

IUPAC(5Z)-5-[(4-chlorophenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)O/C2=C\c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H17ClO4S/c1-30(27,28)20-13-9-18(10-14-20)22-21(15-16-7-11-19(25)12-8-16)29-24(26)23(22)17-5-3-2-4-6-17/h2-15H,1H3/b21-15-
InChIKeyFGFQUSUUASGSBK-QNGOZBTKSA-N
MW436.92 g/mol
LogP5.25
Rot. Bonds4

About (5Z)-5-[(4-chlorophenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one

(5Z)-5-[(4-chlorophenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one (PubChem CID 71740218) has the molecular formula C24H17ClO4S and a molecular weight of 436.92 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one.

Molecular Properties

Compound Name(5Z)-5-[(4-chlorophenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one
PubChem CID71740218
Molecular FormulaC24H17ClO4S
Molecular Weight436.92 g/mol
Exact Mass436.05
IUPAC Name(5Z)-5-[(4-chlorophenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)O/C2=C\c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H17ClO4S/c1-30(27,28)20-13-9-18(10-14-20)22-21(15-16-7-11-19(25)12-8-16)29-24(26)23(22)17-5-3-2-4-6-17/h2-15H,1H3/b21-15-
InChIKeyFGFQUSUUASGSBK-QNGOZBTKSA-N
XLogP5.25
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.92
LogP ≤ 55.25
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)-5-[(4-chlorophenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one?
The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one (CID 71740218) is (5Z)-5-[(4-chlorophenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one.
What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one?
The canonical SMILES for (5Z)-5-[(4-chlorophenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one is CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)O/C2=C\c2ccc(Cl)cc2)cc1.
What is the InChIKey of (5Z)-5-[(4-chlorophenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one?
The InChIKey is FGFQUSUUASGSBK-QNGOZBTKSA-N. The full InChI is InChI=1S/C24H17ClO4S/c1-30(27,28)20-13-9-18(10-14-20)22-21(15-16-7-11-19(25)12-8-16)29-24(26)23(22)17-5-3-2-4-6-17/h2-15H,1H3/b21-15-.
What are the key properties of (5Z)-5-[(4-chlorophenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one?
(5Z)-5-[(4-chlorophenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one has a molecular weight of 436.92 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-chlorophenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one is sourced from PubChem (CID 71740218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).