(2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol

C15H15BrO3S — CID 1471130

IUPAC(2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol
SMILESC[C@@](O)(CS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H15BrO3S/c1-15(17,12-5-3-2-4-6-12)11-20(18,19)14-9-7-13(16)8-10-14/h2-10,17H,11H2,1H3/t15-/m1/s1
InChIKeyUEFZZDSXPMKVHB-OAHLLOKOSA-N
MW355.25 g/mol
LogP3.13
Rot. Bonds4

About (2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol

(2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol (PubChem CID 1471130) has the molecular formula C15H15BrO3S and a molecular weight of 355.25 g/mol. Its IUPAC name is (2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol
PubChem CID1471130
Molecular FormulaC15H15BrO3S
Molecular Weight355.25 g/mol
Exact Mass353.99
IUPAC Name(2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol
SMILESC[C@@](O)(CS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H15BrO3S/c1-15(17,12-5-3-2-4-6-12)11-20(18,19)14-9-7-13(16)8-10-14/h2-10,17H,11H2,1H3/t15-/m1/s1
InChIKeyUEFZZDSXPMKVHB-OAHLLOKOSA-N
XLogP3.13
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-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

2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 53381751
4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95368070
1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol
CID 14580196
2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol
CID 1480392
(2R)-1-(benzenesulfonyl)-3-(4-bromophenyl)sulfonylpropan-2-ol
CID 6976995
4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide
CID 105060233
1-(benzenesulfonyl)-2-methylpropan-2-ol;benzoic acid
CID 71349270
2-(4-bromophenyl)sulfonyl-1-phenylethanone
CID 765822
1-bromo-4-(2-methylpropylsulfonyl)benzene
CID 56776816
3-(4-tert-butylphenyl)sulfonyl-2-methoxy-2-phenylpropan-1-ol
CID 177419256
4-bromo-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498080
4-(2-hydroxy-2-methylpropyl)sulfonylphenol
CID 111435442

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol?
The IUPAC name of (2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol (CID 1471130) is (2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol.
What is the SMILES notation for (2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol?
The canonical SMILES for (2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol is C[C@@](O)(CS(=O)(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of (2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol?
The InChIKey is UEFZZDSXPMKVHB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15BrO3S/c1-15(17,12-5-3-2-4-6-12)11-20(18,19)14-9-7-13(16)8-10-14/h2-10,17H,11H2,1H3/t15-/m1/s1.
What are the key properties of (2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol?
(2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol has a molecular weight of 355.25 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol is sourced from PubChem (CID 1471130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).