4-(3-Acetamidophenoxy)-3-nitro-5-sulfamoylbenzoic acid
Basic information
- CAS
53136-73-5- Standard SMILES
CC(=O)Nc1cccc(Oc2c([N+](=O)[O-])cc(C(=O)O)cc2S(N)(=O)=O)c1- InChIKey
PYYPGPYUACVATR-UHFFFAOYSA-N- Molecular formula
- C15H13N3O8S
- Average molar mass
- 395.3 g/mol
- Monoisotopic mass
- 395.04233556
Names & identifiers
- Preferred name
- 4-(3-Acetamidophenoxy)-3-nitro-5-sulfamoylbenzoic acid
- IUPAC
- 4-(3-acetamidophenoxy)-3-nitro-5-sulfamoylbenzoic acid
Names & synonyms
53136-73-54-(3-Acetamidophenoxy)-3-nitro-5-sulfamoylbenzoic acidbenzoic acid,4-[3-(acetylamino)phenoxy]-3-(aminosulfonyl)-5-nitro-SCHEMBL11802111DTXSID90614998
Database identifiers
- CAS
53136-73-5- PubChem CID
- 21497799
- DTXSID
DTXSID90614998
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 686
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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