Basic information
- CAS
404034-79-3- Standard SMILES
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1cccc(Br)n1- InChIKey
DQEPRZHMUBZABB-UHFFFAOYSA-N- Molecular formula
- C13H12BrN3O4S
- Average molar mass
- 386.22 g/mol
- Monoisotopic mass
- 384.97319
Names & identifiers
- Preferred name
- Benzenesulfonamide, N-[2-(6-bromo-2-pyridinyl)ethyl]-2-nitro-
- IUPAC
- N-[2-(6-bromo-2-pyridinyl)ethyl]-2-nitrobenzenesulfonamide
Names & synonyms
404034-79-3Benzenesulfonamide, N-[2-(6-bromo-2-pyridinyl)ethyl]-2-nitro-DTXSID90455606N-[2-(6-bromopyridin-2-yl)ethyl]-2-nitrobenzene-1-sulfonamide
Database identifiers
- CAS
404034-79-3- PubChem CID
- 11111817
- DTXSID
DTXSID90455606- Nikkaji
- J1.733.517K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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