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

C30H24Cl2F6O6S2 — CID 158125154

IUPAC(2R)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;(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.C[C@](O)(c1ccc(S(=O)(=O)c2ccccc2Cl)cc1)C(F)(F)F
InChIInChI=1S/2C15H12ClF3O3S/c2*1-14(20,15(17,18)19)10-6-8-11(9-7-10)23(21,22)13-5-3-2-4-12(13)16/h2*2-9,20H,1H3/t2*14-/m10/s1
InChIKeyFSBQQXWBTZCSKI-IKFJUQJOSA-N
MW729.54 g/mol
LogP7.89
Rot. Bonds6

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

(2R)-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 158125154) has the molecular formula C30H24Cl2F6O6S2 and a molecular weight of 729.54 g/mol. Its IUPAC name is (2R)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;(2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;(2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID158125154
Molecular FormulaC30H24Cl2F6O6S2
Molecular Weight729.54 g/mol
Exact Mass728.03
IUPAC Name(2R)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;(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.C[C@](O)(c1ccc(S(=O)(=O)c2ccccc2Cl)cc1)C(F)(F)F
InChIInChI=1S/2C15H12ClF3O3S/c2*1-14(20,15(17,18)19)10-6-8-11(9-7-10)23(21,22)13-5-3-2-4-12(13)16/h2*2-9,20H,1H3/t2*14-/m10/s1
InChIKeyFSBQQXWBTZCSKI-IKFJUQJOSA-N
XLogP7.89
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.54
LogP ≤ 57.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;(2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;(2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;(2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol (CID 158125154) is (2R)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;(2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;(2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;(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.C[C@](O)(c1ccc(S(=O)(=O)c2ccccc2Cl)cc1)C(F)(F)F.
What is the InChIKey of (2R)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;(2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is FSBQQXWBTZCSKI-IKFJUQJOSA-N. The full InChI is InChI=1S/2C15H12ClF3O3S/c2*1-14(20,15(17,18)19)10-6-8-11(9-7-10)23(21,22)13-5-3-2-4-12(13)16/h2*2-9,20H,1H3/t2*14-/m10/s1.
What are the key properties of (2R)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;(2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
(2R)-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 729.54 g/mol, XLogP of 7.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;(2S)-2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 158125154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).