Basic information
- CAS
84219-68-1- Standard SMILES
O=[N+]([O-])NS(=O)(=O)c1ccccc1- InChIKey
DMFXUAWAYAOUIP-UHFFFAOYSA-N- Molecular formula
- C6H6N2O4S
- Average molar mass
- 202.19 g/mol
- Monoisotopic mass
- 202.00482785
Names & identifiers
- Preferred name
- Nitro benzenesulfonamide
- IUPAC
- N-nitrobenzenesulfonamide
Names & synonyms
nitro benzenesulfonamide84219-68-1DTXSID20332512RefChem:365708DTXCID10283605N-nitrobenzenesulfonamideSCHEMBL377672SCHEMBL2689189
Database identifiers
- CAS
84219-68-1- PubChem CID
- 458419
- DTXSID
DTXSID20332512- Nikkaji
- J886.725I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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