2-(2-bromophenyl)sulfonylethanol

C8H9BrO3S — CID 2757163

IUPAC2-(2-bromophenyl)sulfonylethanol
SMILESO=S(=O)(CCO)c1ccccc1Br
InChIInChI=1S/C8H9BrO3S/c9-7-3-1-2-4-8(7)13(11,12)6-5-10/h1-4,10H,5-6H2
InChIKeyIBTZCZYNHPLQRS-UHFFFAOYSA-N
MW265.13 g/mol
LogP1.22
Rot. Bonds3

About 2-(2-bromophenyl)sulfonylethanol

2-(2-bromophenyl)sulfonylethanol (PubChem CID 2757163) has the molecular formula C8H9BrO3S and a molecular weight of 265.13 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfonylethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfonylethanol
PubChem CID2757163
Molecular FormulaC8H9BrO3S
Molecular Weight265.13 g/mol
Exact Mass263.95
IUPAC Name2-(2-bromophenyl)sulfonylethanol
SMILESO=S(=O)(CCO)c1ccccc1Br
InChIInChI=1S/C8H9BrO3S/c9-7-3-1-2-4-8(7)13(11,12)6-5-10/h1-4,10H,5-6H2
InChIKeyIBTZCZYNHPLQRS-UHFFFAOYSA-N
XLogP1.22
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfonylethanol?
The IUPAC name of 2-(2-bromophenyl)sulfonylethanol (CID 2757163) is 2-(2-bromophenyl)sulfonylethanol.
What is the SMILES notation for 2-(2-bromophenyl)sulfonylethanol?
The canonical SMILES for 2-(2-bromophenyl)sulfonylethanol is O=S(=O)(CCO)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfonylethanol?
The InChIKey is IBTZCZYNHPLQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO3S/c9-7-3-1-2-4-8(7)13(11,12)6-5-10/h1-4,10H,5-6H2.
What are the key properties of 2-(2-bromophenyl)sulfonylethanol?
2-(2-bromophenyl)sulfonylethanol has a molecular weight of 265.13 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfonylethanol is sourced from PubChem (CID 2757163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).