Basic information
- Standard SMILES
CS(=O)(=O)OCc1ccc(CNC(=O)c2ccccn2)cc1- InChIKey
IPLGFERUFMXADM-UHFFFAOYSA-N- Molecular formula
- C15H16N2O4S
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.08307817
Names & identifiers
- Preferred name
- Methanesulfonic acid 4-{[(pyridine-2-carbonyl)-amino]-methyl}-benzyl ester
- IUPAC
- [4-[(pyridine-2-carbonylamino)methyl]phenyl]methyl methanesulfonate
Names & synonyms
SCHEMBL4065286IPLGFERUFMXADM-UHFFFAOYSA-NMethanesulfonic acid 4-{[(pyridine-2-carbonyl)-amino]-methyl}-benzyl ester
Database identifiers
- PubChem CID
- 46205162
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
Related reactions
6 records
Compound notes
Loading…