4-(4-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylbenzene

C20H17FO3S — CID 102218722

IUPAC4-(4-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylbenzene
SMILESCOc1ccc(-c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2C)cc1
InChIInChI=1S/C20H17FO3S/c1-14-13-19(25(22,23)18-9-5-16(21)6-10-18)11-12-20(14)15-3-7-17(24-2)8-4-15/h3-13H,1-2H3
InChIKeyHVLDYTVBBBQGOZ-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.64
Rot. Bonds4

About 4-(4-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylbenzene

4-(4-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylbenzene (PubChem CID 102218722) has the molecular formula C20H17FO3S and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylbenzene.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylbenzene
PubChem CID102218722
Molecular FormulaC20H17FO3S
Molecular Weight356.42 g/mol
Exact Mass356.09
IUPAC Name4-(4-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylbenzene
SMILESCOc1ccc(-c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2C)cc1
InChIInChI=1S/C20H17FO3S/c1-14-13-19(25(22,23)18-9-5-16(21)6-10-18)11-12-20(14)15-3-7-17(24-2)8-4-15/h3-13H,1-2H3
InChIKeyHVLDYTVBBBQGOZ-UHFFFAOYSA-N
XLogP4.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylbenzene 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-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylbenzene?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylbenzene (CID 102218722) is 4-(4-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylbenzene.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylbenzene?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylbenzene is COc1ccc(-c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2C)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylbenzene?
The InChIKey is HVLDYTVBBBQGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO3S/c1-14-13-19(25(22,23)18-9-5-16(21)6-10-18)11-12-20(14)15-3-7-17(24-2)8-4-15/h3-13H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylbenzene?
4-(4-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylbenzene has a molecular weight of 356.42 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylbenzene is sourced from PubChem (CID 102218722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).