Basic information
- Standard SMILES
CC(=O)NCc1cccc(COS(=O)(=O)c2ccc(C)cc2)c1- InChIKey
VFJOTWMXTAXGFW-UHFFFAOYSA-N- Molecular formula
- C17H19NO4S
- Average molar mass
- 333.4 g/mol
Names & identifiers
- Preferred name
- 3-(Acetamidomethyl)benzyl 4-methylbenzenesulfonate
- IUPAC
- [3-(acetamidomethyl)phenyl]methyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL12676723VFJOTWMXTAXGFW-UHFFFAOYSA-N3-(acetamidomethyl)benzyl 4-methylbenzenesulfonate
Database identifiers
- PubChem CID
- 86673017
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 477
Related reactions
1 records
Compound notes
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