Basic information
- Standard SMILES
CN(Cc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1)S(=O)(=O)c1ccccc1- InChIKey
VDUUBFXHLACNMG-UHFFFAOYSA-N- Molecular formula
- C21H20N2O5S
- Average molar mass
- 412.5 g/mol
Names & identifiers
- Preferred name
- N-(3-Benzyloxy-4-nitrobenzyl)-N-methylbenzenesulfonamide
- IUPAC
- N-methyl-N-[(4-nitro-3-phenylmethoxyphenyl)methyl]benzenesulfonamide
Names & synonyms
SCHEMBL3923389VDUUBFXHLACNMG-UHFFFAOYSA-NN-(3-Benzyloxy-4-nitrobenzyl)-N-methylbenzenesulfonamide
Database identifiers
- PubChem CID
- 68840966
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 618
Related reactions
3 records
Compound notes
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