Basic information
- CAS
52078-00-9- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3ccccc23)cc1- InChIKey
LDRXPMDFIZFIDJ-UHFFFAOYSA-N- Molecular formula
- C16H10N4O8S
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 418.02193446
Names & identifiers
- Preferred name
- N-(2,4-dinitronaphthalen-1-yl)-4-nitrobenzenesulfonamide
- IUPAC
- N-(2,4-dinitronaphthalen-1-yl)-4-nitrobenzenesulfonamide
Names & synonyms
52078-00-9N-(2,4-dinitronaphthalen-1-yl)-4-nitrobenzenesulfonamideNSC298139DTXSID00315888NSC-298139N-(2,4-Dinitronaphthalen-1-yl)-4-nitrobenzene-1-sulfonamide
Database identifiers
- CAS
52078-00-9- PubChem CID
- 326508
- DTXSID
DTXSID00315888
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 745
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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