5-ethenyl-3-methylsulfonyl-2-(4-phenylphenyl)furan

C19H16O3S — CID 132599463

IUPAC5-ethenyl-3-methylsulfonyl-2-(4-phenylphenyl)furan
SMILESC=Cc1cc(S(C)(=O)=O)c(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C19H16O3S/c1-3-17-13-18(23(2,20)21)19(22-17)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h3-13H,1H2,2H3
InChIKeySVDHRHUIGHFDFK-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.66
Rot. Bonds4

About 5-ethenyl-3-methylsulfonyl-2-(4-phenylphenyl)furan

5-ethenyl-3-methylsulfonyl-2-(4-phenylphenyl)furan (PubChem CID 132599463) has the molecular formula C19H16O3S and a molecular weight of 324.40 g/mol. Its IUPAC name is 5-ethenyl-3-methylsulfonyl-2-(4-phenylphenyl)furan.

Molecular Properties

Compound Name5-ethenyl-3-methylsulfonyl-2-(4-phenylphenyl)furan
PubChem CID132599463
Molecular FormulaC19H16O3S
Molecular Weight324.40 g/mol
Exact Mass324.08
IUPAC Name5-ethenyl-3-methylsulfonyl-2-(4-phenylphenyl)furan
SMILESC=Cc1cc(S(C)(=O)=O)c(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C19H16O3S/c1-3-17-13-18(23(2,20)21)19(22-17)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h3-13H,1H2,2H3
InChIKeySVDHRHUIGHFDFK-UHFFFAOYSA-N
XLogP4.66
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethenyl-3-methylsulfonyl-2-(4-phenylphenyl)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 5-ethenyl-3-methylsulfonyl-2-(4-phenylphenyl)furan?
The IUPAC name of 5-ethenyl-3-methylsulfonyl-2-(4-phenylphenyl)furan (CID 132599463) is 5-ethenyl-3-methylsulfonyl-2-(4-phenylphenyl)furan.
What is the SMILES notation for 5-ethenyl-3-methylsulfonyl-2-(4-phenylphenyl)furan?
The canonical SMILES for 5-ethenyl-3-methylsulfonyl-2-(4-phenylphenyl)furan is C=Cc1cc(S(C)(=O)=O)c(-c2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of 5-ethenyl-3-methylsulfonyl-2-(4-phenylphenyl)furan?
The InChIKey is SVDHRHUIGHFDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3S/c1-3-17-13-18(23(2,20)21)19(22-17)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h3-13H,1H2,2H3.
What are the key properties of 5-ethenyl-3-methylsulfonyl-2-(4-phenylphenyl)furan?
5-ethenyl-3-methylsulfonyl-2-(4-phenylphenyl)furan has a molecular weight of 324.40 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-methylsulfonyl-2-(4-phenylphenyl)furan is sourced from PubChem (CID 132599463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).