2-[(1-Phenylethyl)sulfamoyl]benzoic acid
Basic information
- CAS
89820-23-5- Standard SMILES
CC(NS(=O)(=O)c1ccccc1C(=O)O)c1ccccc1- InChIKey
WDCURAVYCZOZLN-UHFFFAOYSA-N- Molecular formula
- C15H15NO4S
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.07217913
Names & identifiers
- Preferred name
- 2-[(1-Phenylethyl)sulfamoyl]benzoic acid
- IUPAC
- 2-(1-phenylethylsulfamoyl)benzoic acid
Names & synonyms
89820-23-52-[(1-phenylethyl)sulfamoyl]benzoic acidBenzoic acid, 2-(((1-phenylethyl)amino)sulfonyl)-DTXSID301009010
Database identifiers
- CAS
89820-23-5- PubChem CID
- 190101
- DTXSID
DTXSID301009010
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…