1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol

C15H15BrO3S — CID 14580196

IUPAC1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol
SMILESO=S(=O)(CC(O)(CBr)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15BrO3S/c16-11-15(17,13-7-3-1-4-8-13)12-20(18,19)14-9-5-2-6-10-14/h1-10,17H,11-12H2
InChIKeyAXWIZRSRCFYIPA-UHFFFAOYSA-N
MW355.25 g/mol
LogP2.74
Rot. Bonds5

About 1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol

1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol (PubChem CID 14580196) has the molecular formula C15H15BrO3S and a molecular weight of 355.25 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol
PubChem CID14580196
Molecular FormulaC15H15BrO3S
Molecular Weight355.25 g/mol
Exact Mass353.99
IUPAC Name1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol
SMILESO=S(=O)(CC(O)(CBr)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15BrO3S/c16-11-15(17,13-7-3-1-4-8-13)12-20(18,19)14-9-5-2-6-10-14/h1-10,17H,11-12H2
InChIKeyAXWIZRSRCFYIPA-UHFFFAOYSA-N
XLogP2.74
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol
CID 1471130
(2S)-1-bromo-2-phenylbutan-2-ol
CID 101213758
2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol
CID 1480392
2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 53381751
1-bromo-2-phenylpent-4-en-2-ol
CID 72801000
1-(benzenesulfonyl)-2-methylpropan-2-ol;benzoic acid
CID 71349270
(1-bromo-2-methylsulfonyl-1-phenylethyl)benzene
CID 56996974
1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol
CID 25041032
3-(4-tert-butylphenyl)sulfonyl-2-methoxy-2-phenylpropan-1-ol
CID 177419256
2,3-dibromo-2-phenylpropan-1-ol
CID 10424492
4-(benzenesulfonyl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 57180123
4-bromobutylsulfonylbenzene
CID 11482789

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol?
The IUPAC name of 1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol (CID 14580196) is 1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol?
The canonical SMILES for 1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol is O=S(=O)(CC(O)(CBr)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol?
The InChIKey is AXWIZRSRCFYIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3S/c16-11-15(17,13-7-3-1-4-8-13)12-20(18,19)14-9-5-2-6-10-14/h1-10,17H,11-12H2.
What are the key properties of 1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol?
1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol has a molecular weight of 355.25 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol is sourced from PubChem (CID 14580196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).