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

C15H15BrO3S — CID 3696027

IUPAC1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol
SMILESCC(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
InChIKeyUEFZZDSXPMKVHB-UHFFFAOYSA-N
MW355.25 g/mol
LogP3.13
Rot. Bonds4

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

1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol (PubChem CID 3696027) has the molecular formula C15H15BrO3S and a molecular weight of 355.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol
PubChem CID3696027
Molecular FormulaC15H15BrO3S
Molecular Weight355.25 g/mol
Exact Mass353.99
IUPAC Name1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol
SMILESCC(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
InChIKeyUEFZZDSXPMKVHB-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol (CID 3696027) is 1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol is CC(O)(CS(=O)(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol?
The InChIKey is UEFZZDSXPMKVHB-UHFFFAOYSA-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.
What are the key properties of 1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol?
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 1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol is sourced from PubChem (CID 3696027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).