[4-[2-(Tridecanoylamino)ethyl]phenyl] sulfamate
Basic information
- CAS
183560-60-3- Standard SMILES
CCCCCCCCCCCCC(=O)NCCc1ccc(OS(N)(=O)=O)cc1- InChIKey
OJSPHDOZFQKYKM-UHFFFAOYSA-N- Molecular formula
- C21H36N2O4S
- Average molar mass
- 412.6 g/mol
- Monoisotopic mass
- 412.23957881
Names & identifiers
- Preferred name
- [4-[2-(Tridecanoylamino)ethyl]phenyl] sulfamate
- IUPAC
- [4-[2-(tridecanoylamino)ethyl]phenyl] sulfamate
- English name
- (4-O-sulfamoyl)-N-tridecanoyl tyramine
- Molecular weight
- 0
Names & synonyms
183560-60-3CHEMBL4529949DTXSID40939729BDBM50525258N-{2-[4-(Sulfamoyloxy)phenyl]ethyl}tridecanimidic acid(4-O-sulfamoyl)-N-tridecanoyl tyramine
Database identifiers
- CAS
183560-60-3- PubChem CID
- 9844582
- DTXSID
DTXSID40939729- ChEMBL
CHEMBL4529949- Nikkaji
- J823.038B
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 497
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Compound notes
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