2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol

C17H17F3O3S — CID 52941221

IUPAC2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCCc1ccccc1S(=O)(=O)c1ccc(C(C)(O)C(F)(F)F)cc1
InChIInChI=1S/C17H17F3O3S/c1-3-12-6-4-5-7-15(12)24(22,23)14-10-8-13(9-11-14)16(2,21)17(18,19)20/h4-11,21H,3H2,1-2H3
InChIKeyBKJONPBKARADED-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.85
Rot. Bonds4

About 2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol

2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 52941221) has the molecular formula C17H17F3O3S and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID52941221
Molecular FormulaC17H17F3O3S
Molecular Weight358.38 g/mol
Exact Mass358.09
IUPAC Name2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCCc1ccccc1S(=O)(=O)c1ccc(C(C)(O)C(F)(F)F)cc1
InChIInChI=1S/C17H17F3O3S/c1-3-12-6-4-5-7-15(12)24(22,23)14-10-8-13(9-11-14)16(2,21)17(18,19)20/h4-11,21H,3H2,1-2H3
InChIKeyBKJONPBKARADED-UHFFFAOYSA-N
XLogP3.85
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol 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
4-[3-cyclopropyl-4-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylphenyl]benzonitrile
CID 52946391
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-Chlorobenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941171
Rac-2-(4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenylsulfonyl)benzonitrile
CID 52941278
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol (CID 52941221) is 2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol is CCc1ccccc1S(=O)(=O)c1ccc(C(C)(O)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is BKJONPBKARADED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O3S/c1-3-12-6-4-5-7-15(12)24(22,23)14-10-8-13(9-11-14)16(2,21)17(18,19)20/h4-11,21H,3H2,1-2H3.
What are the key properties of 2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 358.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 52941221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).