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

C24H16FNO6S — CID 71740701

IUPAC(5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-[(3-nitrophenyl)methylidene]furan-2-one
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)O/C2=C\c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C24H16FNO6S/c1-33(30,31)20-11-7-16(8-12-20)22-21(14-15-3-2-4-19(13-15)26(28)29)32-24(27)23(22)17-5-9-18(25)10-6-17/h2-14H,1H3/b21-14-
InChIKeyAOLHTQDLHWAXQZ-STZFKDTASA-N
MW465.46 g/mol
LogP4.65
Rot. Bonds5

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

(5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-[(3-nitrophenyl)methylidene]furan-2-one (PubChem CID 71740701) has the molecular formula C24H16FNO6S and a molecular weight of 465.46 g/mol. Its IUPAC name is (5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-[(3-nitrophenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-[(3-nitrophenyl)methylidene]furan-2-one
PubChem CID71740701
Molecular FormulaC24H16FNO6S
Molecular Weight465.46 g/mol
Exact Mass465.07
IUPAC Name(5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-[(3-nitrophenyl)methylidene]furan-2-one
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)O/C2=C\c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C24H16FNO6S/c1-33(30,31)20-11-7-16(8-12-20)22-21(14-15-3-2-4-19(13-15)26(28)29)32-24(27)23(22)17-5-9-18(25)10-6-17/h2-14H,1H3/b21-14-
InChIKeyAOLHTQDLHWAXQZ-STZFKDTASA-N
XLogP4.65
TPSA103.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 1300606
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CID 71740089
CID 71740089
CID 71740936
CID 71740936
CID 18385616
CID 18385616
CID 2575836
CID 2575836
CID 4077508
CID 4077508
CID 18385805
CID 18385805
CID 18385888
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CID 172616400
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CID 134921040
CID 134921040

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-[(3-nitrophenyl)methylidene]furan-2-one?
The IUPAC name of (5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-[(3-nitrophenyl)methylidene]furan-2-one (CID 71740701) is (5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-[(3-nitrophenyl)methylidene]furan-2-one.
What is the SMILES notation for (5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-[(3-nitrophenyl)methylidene]furan-2-one?
The canonical SMILES for (5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-[(3-nitrophenyl)methylidene]furan-2-one is CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)O/C2=C\c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of (5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-[(3-nitrophenyl)methylidene]furan-2-one?
The InChIKey is AOLHTQDLHWAXQZ-STZFKDTASA-N. The full InChI is InChI=1S/C24H16FNO6S/c1-33(30,31)20-11-7-16(8-12-20)22-21(14-15-3-2-4-19(13-15)26(28)29)32-24(27)23(22)17-5-9-18(25)10-6-17/h2-14H,1H3/b21-14-.
What are the key properties of (5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-[(3-nitrophenyl)methylidene]furan-2-one?
(5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-[(3-nitrophenyl)methylidene]furan-2-one has a molecular weight of 465.46 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-[(3-nitrophenyl)methylidene]furan-2-one is sourced from PubChem (CID 71740701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).