2-(benzenesulfonyl)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethanol

C15H11F5O3S — CID 19804770

IUPAC2-(benzenesulfonyl)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11F5O3S/c16-14(17,18)12-9-5-4-8-11(12)13(21)15(19,20)24(22,23)10-6-2-1-3-7-10/h1-9,13,21H
InChIKeyLXDCULRMTGOQEC-UHFFFAOYSA-N
MW366.31 g/mol
LogP3.81
Rot. Bonds4

About 2-(benzenesulfonyl)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethanol

2-(benzenesulfonyl)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 19804770) has the molecular formula C15H11F5O3S and a molecular weight of 366.31 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID19804770
Molecular FormulaC15H11F5O3S
Molecular Weight366.31 g/mol
Exact Mass366.03
IUPAC Name2-(benzenesulfonyl)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11F5O3S/c16-14(17,18)12-9-5-4-8-11(12)13(21)15(19,20)24(22,23)10-6-2-1-3-7-10/h1-9,13,21H
InChIKeyLXDCULRMTGOQEC-UHFFFAOYSA-N
XLogP3.81
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonyl)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-[4-(2-Ethylbenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941221
Rac-1,1,1-trifluoro-2-(4-(phenylsulfonyl)phenyl)propan-2-ol
CID 52944762
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
Rac-1,1,1-trifluoro-2-(4-(2-fluorophenylsulfonyl)phenyl)propan-2-ol
CID 52941220
Rac-1,1,1-trifluoro-2-(4-(4-fluorophenylsulfonyl)phenyl)propan-2-ol
CID 52942397
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(benzenesulfonyl)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethanol (CID 19804770) is 2-(benzenesulfonyl)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(benzenesulfonyl)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(benzenesulfonyl)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethanol is O=S(=O)(c1ccccc1)C(F)(F)C(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(benzenesulfonyl)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is LXDCULRMTGOQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5O3S/c16-14(17,18)12-9-5-4-8-11(12)13(21)15(19,20)24(22,23)10-6-2-1-3-7-10/h1-9,13,21H.
What are the key properties of 2-(benzenesulfonyl)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethanol?
2-(benzenesulfonyl)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 366.31 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 19804770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).