1-[4-(benzenesulfonyl)phenyl]-2-(4-fluorophenyl)ethanol

C20H17FO3S — CID 21099443

IUPAC1-[4-(benzenesulfonyl)phenyl]-2-(4-fluorophenyl)ethanol
SMILESO=S(=O)(c1ccccc1)c1ccc(C(O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FO3S/c21-17-10-6-15(7-11-17)14-20(22)16-8-12-19(13-9-16)25(23,24)18-4-2-1-3-5-18/h1-13,20,22H,14H2
InChIKeyVCXOYQOGHOAMMC-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.93
Rot. Bonds5

About 1-[4-(benzenesulfonyl)phenyl]-2-(4-fluorophenyl)ethanol

1-[4-(benzenesulfonyl)phenyl]-2-(4-fluorophenyl)ethanol (PubChem CID 21099443) has the molecular formula C20H17FO3S and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)phenyl]-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)phenyl]-2-(4-fluorophenyl)ethanol
PubChem CID21099443
Molecular FormulaC20H17FO3S
Molecular Weight356.42 g/mol
Exact Mass356.09
IUPAC Name1-[4-(benzenesulfonyl)phenyl]-2-(4-fluorophenyl)ethanol
SMILESO=S(=O)(c1ccccc1)c1ccc(C(O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FO3S/c21-17-10-6-15(7-11-17)14-20(22)16-8-12-19(13-9-16)25(23,24)18-4-2-1-3-5-18/h1-13,20,22H,14H2
InChIKeyVCXOYQOGHOAMMC-UHFFFAOYSA-N
XLogP3.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)phenyl]-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-[4-(benzenesulfonyl)phenyl]-2-(4-fluorophenyl)ethanol (CID 21099443) is 1-[4-(benzenesulfonyl)phenyl]-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-[4-(benzenesulfonyl)phenyl]-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-[4-(benzenesulfonyl)phenyl]-2-(4-fluorophenyl)ethanol is O=S(=O)(c1ccccc1)c1ccc(C(O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-(benzenesulfonyl)phenyl]-2-(4-fluorophenyl)ethanol?
The InChIKey is VCXOYQOGHOAMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO3S/c21-17-10-6-15(7-11-17)14-20(22)16-8-12-19(13-9-16)25(23,24)18-4-2-1-3-5-18/h1-13,20,22H,14H2.
What are the key properties of 1-[4-(benzenesulfonyl)phenyl]-2-(4-fluorophenyl)ethanol?
1-[4-(benzenesulfonyl)phenyl]-2-(4-fluorophenyl)ethanol has a molecular weight of 356.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)phenyl]-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 21099443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).