Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(3-phenylpropyl)-
Basic information
- CAS
72020-17-8- Standard SMILES
Nc1cc(C(=O)O)cc(S(N)(=O)=O)c1CCCc1ccccc1- InChIKey
ZWWSPTSDFWAAPT-UHFFFAOYSA-N- Molecular formula
- C16H18N2O4S
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.09872823
Names & identifiers
- Preferred name
- Benzoic acid, 3-amino-5-(aminosulfonyl)-4-(3-phenylpropyl)-
- IUPAC
- 3-amino-4-(3-phenylpropyl)-5-sulfamoylbenzoic acid
Names & synonyms
72020-17-8BENZOIC ACID, 3-AMINO-5-(AMINOSULFONYL)-4-(3-PHENYLPROPYL)-3-Amino-5-(aminosulfonyl)-4-(3-phenylpropyl)benzoic acidDTXSID90222315RefChem:327194DTXCID901448063-amino-4-(3-phenylpropyl)-5-sulfamoylbenzoic acid
Database identifiers
- CAS
72020-17-8- PubChem CID
- 51510
- DTXSID
DTXSID90222315
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 497
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…