Basic information
- Standard SMILES
COc1ccc(CNS(=O)(=O)C(C)c2cccc(Br)c2)c(OC)c1- InChIKey
SYUXVYDRGXJPNO-UHFFFAOYSA-N- Molecular formula
- C17H20BrNO4S
- Average molar mass
- 414.3 g/mol
- Monoisotopic mass
- 413.02964
Names & identifiers
- Preferred name
- N-(2,4-Dimethoxybenzyl)-1-(3-bromophenyl)ethanesulfonamide
- IUPAC
- 1-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanesulfonamide
Names & synonyms
SCHEMBL12699988SYUXVYDRGXJPNO-UHFFFAOYSA-NN-(2,4-Dimethoxybenzyl)-1-(3-bromophenyl)ethanesulfonamide
Database identifiers
- PubChem CID
- 68359259
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 481
Related reactions
2 records
Compound notes
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