5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole

C20H15FO4S — CID 10761664

IUPAC5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole
SMILESCS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc(F)cc2)OCO3)cc1
InChIInChI=1S/C20H15FO4S/c1-26(22,23)16-8-4-14(5-9-16)18-11-20-19(24-12-25-20)10-17(18)13-2-6-15(21)7-3-13/h2-11H,12H2,1H3
InChIKeySIGUPSKJHJMMAX-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.29
Rot. Bonds3

About 5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole

5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole (PubChem CID 10761664) has the molecular formula C20H15FO4S and a molecular weight of 370.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole
PubChem CID10761664
Molecular FormulaC20H15FO4S
Molecular Weight370.40 g/mol
Exact Mass370.07
IUPAC Name5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole
SMILESCS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc(F)cc2)OCO3)cc1
InChIInChI=1S/C20H15FO4S/c1-26(22,23)16-8-4-14(5-9-16)18-11-20-19(24-12-25-20)10-17(18)13-2-6-15(21)7-3-13/h2-11H,12H2,1H3
InChIKeySIGUPSKJHJMMAX-UHFFFAOYSA-N
XLogP4.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole 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-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole?
The IUPAC name of 5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole (CID 10761664) is 5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole.
What is the SMILES notation for 5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole?
The canonical SMILES for 5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole is CS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc(F)cc2)OCO3)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole?
The InChIKey is SIGUPSKJHJMMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FO4S/c1-26(22,23)16-8-4-14(5-9-16)18-11-20-19(24-12-25-20)10-17(18)13-2-6-15(21)7-3-13/h2-11H,12H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole?
5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole has a molecular weight of 370.40 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole is sourced from PubChem (CID 10761664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).