Basic information
- CAS
50714-07-3- Standard SMILES
NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1CCc1ccccc1- InChIKey
AXVWZQZFQXSHIR-UHFFFAOYSA-N- Molecular formula
- C15H14N2O6S
- Average molar mass
- 350.3 g/mol
- Monoisotopic mass
- 350.05725734
Names & identifiers
- Preferred name
- Benzoic acid, 3-(aminosulfonyl)-5-nitro-4-(2-phenylethyl)-
- IUPAC
- 3-nitro-4-(2-phenylethyl)-5-sulfamoylbenzoic acid
Names & synonyms
BRN 2782031BENZOIC ACID, 3-(AMINOSULFONYL)-5-NITRO-4-(2-PHENYLETHYL)-3-(Aminosulfonyl)-5-nitro-4-(2-phenylethyl)benzoic acid50714-07-3DTXSID50198769RefChem:327153DTXCID601212603-Nitro-4-(2-phenylethyl)-5-sulfamoylbenzoic acid
Database identifiers
- CAS
50714-07-3- PubChem CID
- 39767
- DTXSID
DTXSID50198769
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…