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

C15H12ClF3O3S — CID 11653483

IUPAC(2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@](O)(c1ccc(S(=O)(=O)c2ccccc2Cl)cc1)C(F)(F)F
InChIInChI=1S/C15H12ClF3O3S/c1-14(20,15(17,18)19)10-6-8-11(9-7-10)23(21,22)13-5-3-2-4-12(13)16/h2-9,20H,1H3/t14-/m0/s1
InChIKeyHEYYMMKRFXWVJQ-AWEZNQCLSA-N
MW364.77 g/mol
LogP3.94
Rot. Bonds3

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

(2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 11653483) has the molecular formula C15H12ClF3O3S and a molecular weight of 364.77 g/mol. Its IUPAC name is (2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID11653483
Molecular FormulaC15H12ClF3O3S
Molecular Weight364.77 g/mol
Exact Mass364.01
IUPAC Name(2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@](O)(c1ccc(S(=O)(=O)c2ccccc2Cl)cc1)C(F)(F)F
InChIInChI=1S/C15H12ClF3O3S/c1-14(20,15(17,18)19)10-6-8-11(9-7-10)23(21,22)13-5-3-2-4-12(13)16/h2-9,20H,1H3/t14-/m0/s1
InChIKeyHEYYMMKRFXWVJQ-AWEZNQCLSA-N
XLogP3.94
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.77
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-chloro-4-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylphenyl]benzonitrile
CID 52947617
Rac-1,1,1-trifluoro-2-(4-(o-tolylsulfonyl)phenyl)propan-2-ol
CID 11515715
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
2-[4-(2-Ethylbenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941221
Rac-2-(4-(2,4-dichlorophenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52943755
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
Rac-1,1,1-trifluoro-2-(4-(2-fluorophenylsulfonyl)phenyl)propan-2-ol
CID 52941220

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol (CID 11653483) is (2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol is C[C@](O)(c1ccc(S(=O)(=O)c2ccccc2Cl)cc1)C(F)(F)F.
What is the InChIKey of (2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is HEYYMMKRFXWVJQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H12ClF3O3S/c1-14(20,15(17,18)19)10-6-8-11(9-7-10)23(21,22)13-5-3-2-4-12(13)16/h2-9,20H,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
(2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 364.77 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 11653483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).