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2-Bromo-1-(4-chloro-3-sulfamoylphenyl)-ethanol

HCID 20527191
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NS(=O)(=O)c1cc(C(O)CBr)ccc1Cl
InChIKey
DHORFFCSLNMTAL-UHFFFAOYSA-N
Molecular formula
C8H9BrClNO3S
Average molar mass
314.58 g/mol

Names & identifiers

Preferred name
2-Bromo-1-(4-chloro-3-sulfamoylphenyl)-ethanol
IUPAC
5-(2-bromo-1-hydroxyethyl)-2-chlorobenzenesulfonamide

Names & synonyms

SCHEMBL11213161DHORFFCSLNMTAL-UHFFFAOYSA-N2-Bromo-1-(4-chloro-3-sulfamoylphenyl)-ethanol

Database identifiers

PubChem CID
20527191

Properties

Computed structural properties

XLogP
1
Topological polar surface area
88.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
305

Related reactions

2 records
New reaction record
HRID 67786 reaction equation
HRID 67786As productuspto-grants-1982_08
HRID 682122 reaction equation
HRID 682122As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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