Basic information
- Standard SMILES
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(Br)c2)cc1- InChIKey
WNDQLJSZJFEXOC-UHFFFAOYSA-N- Molecular formula
- C28H27BrN2O3S
- Average molar mass
- 551.5 g/mol
- Monoisotopic mass
- 550.09258
Names & identifiers
- Preferred name
- N-(3-{benzyl[4-(3-bromophenoxy)benzyl]amino}-2-methylphenyl)methanesulfonamide
- IUPAC
- N-[3-[benzyl-[[4-(3-bromophenoxy)phenyl]methyl]amino]-2-methylphenyl]methanesulfonamide
Names & synonyms
SCHEMBL3970555WNDQLJSZJFEXOC-UHFFFAOYSA-NN-(3-{benzyl[4-(3-bromophenoxy)benzyl]amino}-2-methylphenyl)methanesulfonamide
Database identifiers
- PubChem CID
- 18512042
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 731
Related reactions
2 records
Compound notes
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