Basic information
- Standard SMILES
CC(=O)Nc1ccc(Oc2c([N+](=O)[O-])cc(C(=O)O)cc2S(=O)(=O)NC(C)=O)cc1- InChIKey
KLPVMVAPKUBWBK-UHFFFAOYSA-N- Molecular formula
- C17H15N3O9S
- Average molar mass
- 437.4 g/mol
Names & identifiers
- Preferred name
- 4-(4-Acetamidophenoxy)-3-nitro-5-acetylsulfamoylbenzoic acid
- IUPAC
- 4-(4-acetamidophenoxy)-3-(acetylsulfamoyl)-5-nitrobenzoic acid
Names & synonyms
SCHEMBL11799395KLPVMVAPKUBWBK-UHFFFAOYSA-N4-(4-acetamidophenoxy)-3-nitro-5-acetylsulfamoylbenzoic acid
Database identifiers
- PubChem CID
- 21497794
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 781
Related reactions
4 records
Compound notes
Loading…