(2R)-2-[4-[4-(benzenesulfonyl)-3-chlorophenyl]phenyl]-1,1,1-trifluoropropan-2-ol

C21H16ClF3O3S — CID 66582462

IUPAC(2R)-2-[4-[4-(benzenesulfonyl)-3-chlorophenyl]phenyl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccccc3)c(Cl)c2)cc1)C(F)(F)F
InChIInChI=1S/C21H16ClF3O3S/c1-20(26,21(23,24)25)16-10-7-14(8-11-16)15-9-12-19(18(22)13-15)29(27,28)17-5-3-2-4-6-17/h2-13,26H,1H3/t20-/m1/s1
InChIKeyUAZQWMWJTVBFHG-HXUWFJFHSA-N
MW440.87 g/mol
LogP5.61
Rot. Bonds4

About (2R)-2-[4-[4-(benzenesulfonyl)-3-chlorophenyl]phenyl]-1,1,1-trifluoropropan-2-ol

(2R)-2-[4-[4-(benzenesulfonyl)-3-chlorophenyl]phenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 66582462) has the molecular formula C21H16ClF3O3S and a molecular weight of 440.87 g/mol. Its IUPAC name is (2R)-2-[4-[4-(benzenesulfonyl)-3-chlorophenyl]phenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-2-[4-[4-(benzenesulfonyl)-3-chlorophenyl]phenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID66582462
Molecular FormulaC21H16ClF3O3S
Molecular Weight440.87 g/mol
Exact Mass440.05
IUPAC Name(2R)-2-[4-[4-(benzenesulfonyl)-3-chlorophenyl]phenyl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccccc3)c(Cl)c2)cc1)C(F)(F)F
InChIInChI=1S/C21H16ClF3O3S/c1-20(26,21(23,24)25)16-10-7-14(8-11-16)15-9-12-19(18(22)13-15)29(27,28)17-5-3-2-4-6-17/h2-13,26H,1H3/t20-/m1/s1
InChIKeyUAZQWMWJTVBFHG-HXUWFJFHSA-N
XLogP5.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.87
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[4-[4-(benzenesulfonyl)-3-chlorophenyl]phenyl]-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

4-[3-chloro-4-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylphenyl]benzonitrile
CID 52947617
Rac-3-chloro-4-(4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenylsulfonyl)benzonitrile
CID 11574633
Rac-3''-chloro-4''-(4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenylsulfonyl)biphenyl-4-carbonitrile
CID 11669908
Rac-2-(4-(2-chlorophenylsulfonyl)phenyl)propan-2-ol
CID 11688174
2-[4-(2-Chlorobenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941171
Rac-2-(4-(2,4-dichlorophenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52943755
4-[3-chloro-4-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylphenyl]benzonitrile
CID 52943893
Rac-1-(3-chloro-4-(4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenylsulfonyl)benzyl)cyclopropanecarbonitrile
CID 52946320
Rac-2-(4-(3-chlorophenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52948460
3-chloro-4-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylbenzonitrile
CID 49870852
3-chloro-4-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonyl(14C)benzonitrile
CID 118721947
(E)-1-(benzenesulfonyl)-4-(4-chlorophenyl)-1-fluoro-2-phenylbut-3-en-2-ol
CID 135062247

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[4-(benzenesulfonyl)-3-chlorophenyl]phenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-2-[4-[4-(benzenesulfonyl)-3-chlorophenyl]phenyl]-1,1,1-trifluoropropan-2-ol (CID 66582462) is (2R)-2-[4-[4-(benzenesulfonyl)-3-chlorophenyl]phenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-2-[4-[4-(benzenesulfonyl)-3-chlorophenyl]phenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-2-[4-[4-(benzenesulfonyl)-3-chlorophenyl]phenyl]-1,1,1-trifluoropropan-2-ol is C[C@@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccccc3)c(Cl)c2)cc1)C(F)(F)F.
What is the InChIKey of (2R)-2-[4-[4-(benzenesulfonyl)-3-chlorophenyl]phenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is UAZQWMWJTVBFHG-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H16ClF3O3S/c1-20(26,21(23,24)25)16-10-7-14(8-11-16)15-9-12-19(18(22)13-15)29(27,28)17-5-3-2-4-6-17/h2-13,26H,1H3/t20-/m1/s1.
What are the key properties of (2R)-2-[4-[4-(benzenesulfonyl)-3-chlorophenyl]phenyl]-1,1,1-trifluoropropan-2-ol?
(2R)-2-[4-[4-(benzenesulfonyl)-3-chlorophenyl]phenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 440.87 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[4-(benzenesulfonyl)-3-chlorophenyl]phenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 66582462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).