2-(3-bromo-5-chlorophenyl)sulfonylethanol

C8H8BrClO3S — CID 121237681

IUPAC2-(3-bromo-5-chlorophenyl)sulfonylethanol
SMILESO=S(=O)(CCO)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C8H8BrClO3S/c9-6-3-7(10)5-8(4-6)14(12,13)2-1-11/h3-5,11H,1-2H2
InChIKeyZJHXVVOIOZQIOY-UHFFFAOYSA-N
MW299.57 g/mol
LogP1.87
Rot. Bonds3

About 2-(3-bromo-5-chlorophenyl)sulfonylethanol

2-(3-bromo-5-chlorophenyl)sulfonylethanol (PubChem CID 121237681) has the molecular formula C8H8BrClO3S and a molecular weight of 299.57 g/mol. Its IUPAC name is 2-(3-bromo-5-chlorophenyl)sulfonylethanol.

Molecular Properties

Compound Name2-(3-bromo-5-chlorophenyl)sulfonylethanol
PubChem CID121237681
Molecular FormulaC8H8BrClO3S
Molecular Weight299.57 g/mol
Exact Mass297.91
IUPAC Name2-(3-bromo-5-chlorophenyl)sulfonylethanol
SMILESO=S(=O)(CCO)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C8H8BrClO3S/c9-6-3-7(10)5-8(4-6)14(12,13)2-1-11/h3-5,11H,1-2H2
InChIKeyZJHXVVOIOZQIOY-UHFFFAOYSA-N
XLogP1.87
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.57
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)sulfonylethanol
CID 111104635
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
1-(3-bromo-5-chlorophenyl)-4-methylsulfonylbutan-1-amine
CID 107945285
3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol
CID 130002447
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
2-[3-(4-chlorophenyl)propylsulfonyl]ethanol
CID 71972664
3-bromo-5-chlorobenzoyl chloride
CID 50998129
4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61217623
2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol
CID 82181727
1-(3-bromo-5-chlorophenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 107945284
methanesulfonic acid;2-(2,4,6-trichlorophenyl)ethanol
CID 88714036
3-bromo-5-(hydroxymethyl)benzenesulfonyl fluoride
CID 165477325

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chlorophenyl)sulfonylethanol?
The IUPAC name of 2-(3-bromo-5-chlorophenyl)sulfonylethanol (CID 121237681) is 2-(3-bromo-5-chlorophenyl)sulfonylethanol.
What is the SMILES notation for 2-(3-bromo-5-chlorophenyl)sulfonylethanol?
The canonical SMILES for 2-(3-bromo-5-chlorophenyl)sulfonylethanol is O=S(=O)(CCO)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-chlorophenyl)sulfonylethanol?
The InChIKey is ZJHXVVOIOZQIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO3S/c9-6-3-7(10)5-8(4-6)14(12,13)2-1-11/h3-5,11H,1-2H2.
What are the key properties of 2-(3-bromo-5-chlorophenyl)sulfonylethanol?
2-(3-bromo-5-chlorophenyl)sulfonylethanol has a molecular weight of 299.57 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chlorophenyl)sulfonylethanol is sourced from PubChem (CID 121237681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).