3-[(E)-2-[(2,4-dichlorophenyl)methylsulfinyl]ethenyl]-2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan

C22H17Cl2FO3S2 — CID 152739062

IUPAC3-[(E)-2-[(2,4-dichlorophenyl)methylsulfinyl]ethenyl]-2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan
SMILESO=S(/C=C/c1occc1/C=C/S(=O)Cc1ccc(Cl)cc1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C22H17Cl2FO3S2/c23-19-4-3-18(21(24)13-19)15-30(27)11-8-17-7-10-28-22(17)9-12-29(26)14-16-1-5-20(25)6-2-16/h1-13H,14-15H2/b11-8+,12-9+
InChIKeyZZFLASQHEYUSMC-HZOWPXDZSA-N
MW483.41 g/mol
LogP6.56
Rot. Bonds8

About 3-[(E)-2-[(2,4-dichlorophenyl)methylsulfinyl]ethenyl]-2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan

3-[(E)-2-[(2,4-dichlorophenyl)methylsulfinyl]ethenyl]-2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan (PubChem CID 152739062) has the molecular formula C22H17Cl2FO3S2 and a molecular weight of 483.41 g/mol. Its IUPAC name is 3-[(E)-2-[(2,4-dichlorophenyl)methylsulfinyl]ethenyl]-2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan.

Molecular Properties

Compound Name3-[(E)-2-[(2,4-dichlorophenyl)methylsulfinyl]ethenyl]-2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan
PubChem CID152739062
Molecular FormulaC22H17Cl2FO3S2
Molecular Weight483.41 g/mol
Exact Mass482.00
IUPAC Name3-[(E)-2-[(2,4-dichlorophenyl)methylsulfinyl]ethenyl]-2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan
SMILESO=S(/C=C/c1occc1/C=C/S(=O)Cc1ccc(Cl)cc1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C22H17Cl2FO3S2/c23-19-4-3-18(21(24)13-19)15-30(27)11-8-17-7-10-28-22(17)9-12-29(26)14-16-1-5-20(25)6-2-16/h1-13H,14-15H2/b11-8+,12-9+
InChIKeyZZFLASQHEYUSMC-HZOWPXDZSA-N
XLogP6.56
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.41
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(E)-2-[(2,4-dichlorophenyl)methylsulfinyl]ethenyl]-2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan 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 3-[(E)-2-[(2,4-dichlorophenyl)methylsulfinyl]ethenyl]-2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan?
The IUPAC name of 3-[(E)-2-[(2,4-dichlorophenyl)methylsulfinyl]ethenyl]-2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan (CID 152739062) is 3-[(E)-2-[(2,4-dichlorophenyl)methylsulfinyl]ethenyl]-2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan.
What is the SMILES notation for 3-[(E)-2-[(2,4-dichlorophenyl)methylsulfinyl]ethenyl]-2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan?
The canonical SMILES for 3-[(E)-2-[(2,4-dichlorophenyl)methylsulfinyl]ethenyl]-2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan is O=S(/C=C/c1occc1/C=C/S(=O)Cc1ccc(Cl)cc1Cl)Cc1ccc(F)cc1.
What is the InChIKey of 3-[(E)-2-[(2,4-dichlorophenyl)methylsulfinyl]ethenyl]-2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan?
The InChIKey is ZZFLASQHEYUSMC-HZOWPXDZSA-N. The full InChI is InChI=1S/C22H17Cl2FO3S2/c23-19-4-3-18(21(24)13-19)15-30(27)11-8-17-7-10-28-22(17)9-12-29(26)14-16-1-5-20(25)6-2-16/h1-13H,14-15H2/b11-8+,12-9+.
What are the key properties of 3-[(E)-2-[(2,4-dichlorophenyl)methylsulfinyl]ethenyl]-2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan?
3-[(E)-2-[(2,4-dichlorophenyl)methylsulfinyl]ethenyl]-2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan has a molecular weight of 483.41 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[(2,4-dichlorophenyl)methylsulfinyl]ethenyl]-2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan is sourced from PubChem (CID 152739062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).