2-(benzenesulfonyl)-2-fluoro-1,1-diphenylethanol

C20H17FO3S — CID 13460269

IUPAC2-(benzenesulfonyl)-2-fluoro-1,1-diphenylethanol
SMILESO=S(=O)(c1ccccc1)C(F)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17FO3S/c21-19(25(23,24)18-14-8-3-9-15-18)20(22,16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19,22H
InChIKeyMPMJUIUSUFCZKX-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.69
Rot. Bonds5

About 2-(benzenesulfonyl)-2-fluoro-1,1-diphenylethanol

2-(benzenesulfonyl)-2-fluoro-1,1-diphenylethanol (PubChem CID 13460269) has the molecular formula C20H17FO3S and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2-fluoro-1,1-diphenylethanol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2-fluoro-1,1-diphenylethanol
PubChem CID13460269
Molecular FormulaC20H17FO3S
Molecular Weight356.42 g/mol
Exact Mass356.09
IUPAC Name2-(benzenesulfonyl)-2-fluoro-1,1-diphenylethanol
SMILESO=S(=O)(c1ccccc1)C(F)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17FO3S/c21-19(25(23,24)18-14-8-3-9-15-18)20(22,16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19,22H
InChIKeyMPMJUIUSUFCZKX-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol
CID 118212096
(S,E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 11545423
(E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 21099378
Rac-1,1,1-trifluoro-2-(4-(o-tolylsulfonyl)phenyl)propan-2-ol
CID 11515715
(E)-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)methanol
CID 11559695
2-[4-(2-Ethylbenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941221
Rac-2-(4-(2-cyclopropylphenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52943645
Rac-1,1,1-trifluoro-2-(4-(phenylsulfonyl)phenyl)propan-2-ol
CID 52944762
Rac-2-(4-(2-tert-butylphenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52946104
Rac-1,1,1-trifluoro-2-(4-(2-(trifluoromethyl)phenylsulfonyl)phenyl)propan-2-ol
CID 52949732
US9771320, Example 10
CID 118212056
US9771320, Example 125
CID 118220706

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2-fluoro-1,1-diphenylethanol?
The IUPAC name of 2-(benzenesulfonyl)-2-fluoro-1,1-diphenylethanol (CID 13460269) is 2-(benzenesulfonyl)-2-fluoro-1,1-diphenylethanol.
What is the SMILES notation for 2-(benzenesulfonyl)-2-fluoro-1,1-diphenylethanol?
The canonical SMILES for 2-(benzenesulfonyl)-2-fluoro-1,1-diphenylethanol is O=S(=O)(c1ccccc1)C(F)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-2-fluoro-1,1-diphenylethanol?
The InChIKey is MPMJUIUSUFCZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO3S/c21-19(25(23,24)18-14-8-3-9-15-18)20(22,16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19,22H.
What are the key properties of 2-(benzenesulfonyl)-2-fluoro-1,1-diphenylethanol?
2-(benzenesulfonyl)-2-fluoro-1,1-diphenylethanol has a molecular weight of 356.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2-fluoro-1,1-diphenylethanol is sourced from PubChem (CID 13460269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).