Basic information
- Standard SMILES
NS(=O)(=O)CC(=O)Cc1ccc(OCc2ccc3ccccc3n2)c(Br)c1- InChIKey
KOJJIMRDALWJGR-UHFFFAOYSA-N- Molecular formula
- C19H17BrN2O4S
- Average molar mass
- 449.3 g/mol
- Monoisotopic mass
- 448.00924
Names & identifiers
- Preferred name
- 2-[3-Bromo-4-(quinolin-2-yl-methoxy)phenyl]acetylmethanesulphonamide
- IUPAC
- 3-[3-bromo-4-(quinolin-2-ylmethoxy)phenyl]-2-oxopropane-1-sulfonamide
Names & synonyms
SCHEMBL9032230KOJJIMRDALWJGR-UHFFFAOYSA-N2-[3-Bromo-4-(quinolin-2-yl-methoxy)phenyl]acetylmethanesulphonamide
Database identifiers
- PubChem CID
- 19087778
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 609
Related reactions
1 records
Compound notes
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