Benzoic acid, 3-(aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitro-
Basic information
- CAS
72020-11-2- Standard SMILES
NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1CCc1ccc(Cl)cc1- InChIKey
GKWAOCARIKELOU-UHFFFAOYSA-N- Molecular formula
- C15H13ClN2O6S
- Average molar mass
- 384.8 g/mol
- Monoisotopic mass
- 384.018285
Names & identifiers
- Preferred name
- Benzoic acid, 3-(aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitro-
- IUPAC
- 4-[2-(4-chlorophenyl)ethyl]-3-nitro-5-sulfamoylbenzoic acid
Names & synonyms
72020-11-2BENZOIC ACID, 3-(AMINOSULFONYL)-4-(2-(4-CHLOROPHENYL)ETHYL)-5-NITRO-3-(Aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitrobenzoic acidDTXSID80222309RefChem:327150DTXCID301448004-[2-(4-chlorophenyl)ethyl]-3-nitro-5-sulfamoylbenzoic acid
Database identifiers
- CAS
72020-11-2- PubChem CID
- 51508
- DTXSID
DTXSID80222309
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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