2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol

C9H12BrNO3S — CID 117474476

IUPAC2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(N)CO)cc1Br
InChIInChI=1S/C9H12BrNO3S/c1-15(13,14)9-3-2-6(4-7(9)10)8(11)5-12/h2-4,8,12H,5,11H2,1H3
InChIKeyULUAGZNITDTGNP-UHFFFAOYSA-N
MW294.17 g/mol
LogP0.84
Rot. Bonds3

About 2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol

2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol (PubChem CID 117474476) has the molecular formula C9H12BrNO3S and a molecular weight of 294.17 g/mol. Its IUPAC name is 2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol
PubChem CID117474476
Molecular FormulaC9H12BrNO3S
Molecular Weight294.17 g/mol
Exact Mass292.97
IUPAC Name2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(N)CO)cc1Br
InChIInChI=1S/C9H12BrNO3S/c1-15(13,14)9-3-2-6(4-7(9)10)8(11)5-12/h2-4,8,12H,5,11H2,1H3
InChIKeyULUAGZNITDTGNP-UHFFFAOYSA-N
XLogP0.84
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(3,4-dibromophenyl)ethanol
CID 66515811
2-amino-2-(3,4-dibromophenyl)ethanol
CID 77130608
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083
(2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol
CID 131128793
(2R)-2-amino-2-(4-methylsulfonylphenyl)ethanol;hydrochloride
CID 142503487
2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 117468737
(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride
CID 127264657
5-(1-amino-2-hydroxyethyl)-2-bromophenol
CID 84795164
2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide
CID 18626638
2-amino-2-(4-bromo-3-chlorophenyl)ethanol
CID 77130463
2-amino-2-[4-(2-methylsulfonylpropan-2-yl)phenyl]ethanol
CID 117115430
2-(3-bromo-4-ethylsulfonylphenyl)-2-fluoroethanol
CID 105425107

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol (CID 117474476) is 2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol is CS(=O)(=O)c1ccc(C(N)CO)cc1Br.
What is the InChIKey of 2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol?
The InChIKey is ULUAGZNITDTGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3S/c1-15(13,14)9-3-2-6(4-7(9)10)8(11)5-12/h2-4,8,12H,5,11H2,1H3.
What are the key properties of 2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol?
2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol has a molecular weight of 294.17 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 117474476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).