4-(4-chlorophenyl)-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one

C17H11ClF2O4S — CID 18754841

IUPAC4-(4-chlorophenyl)-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
SMILESCS(=O)(=O)c1c(F)cc(C2=C(c3ccc(Cl)cc3)C(=O)OC2)cc1F
InChIInChI=1S/C17H11ClF2O4S/c1-25(22,23)16-13(19)6-10(7-14(16)20)12-8-24-17(21)15(12)9-2-4-11(18)5-3-9/h2-7H,8H2,1H3
InChIKeyQXECQJUAHYQJGW-UHFFFAOYSA-N
MW384.79 g/mol
LogP3.49
Rot. Bonds3

About 4-(4-chlorophenyl)-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one

4-(4-chlorophenyl)-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one (PubChem CID 18754841) has the molecular formula C17H11ClF2O4S and a molecular weight of 384.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
PubChem CID18754841
Molecular FormulaC17H11ClF2O4S
Molecular Weight384.79 g/mol
Exact Mass384.00
IUPAC Name4-(4-chlorophenyl)-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
SMILESCS(=O)(=O)c1c(F)cc(C2=C(c3ccc(Cl)cc3)C(=O)OC2)cc1F
InChIInChI=1S/C17H11ClF2O4S/c1-25(22,23)16-13(19)6-10(7-14(16)20)12-8-24-17(21)15(12)9-2-4-11(18)5-3-9/h2-7H,8H2,1H3
InChIKeyQXECQJUAHYQJGW-UHFFFAOYSA-N
XLogP3.49
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-chlorophenyl)-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one 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 4-(4-chlorophenyl)-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one?
The IUPAC name of 4-(4-chlorophenyl)-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one (CID 18754841) is 4-(4-chlorophenyl)-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one?
The canonical SMILES for 4-(4-chlorophenyl)-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one is CS(=O)(=O)c1c(F)cc(C2=C(c3ccc(Cl)cc3)C(=O)OC2)cc1F.
What is the InChIKey of 4-(4-chlorophenyl)-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one?
The InChIKey is QXECQJUAHYQJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2O4S/c1-25(22,23)16-13(19)6-10(7-14(16)20)12-8-24-17(21)15(12)9-2-4-11(18)5-3-9/h2-7H,8H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one?
4-(4-chlorophenyl)-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one has a molecular weight of 384.79 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one is sourced from PubChem (CID 18754841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).