Basic information
- Standard SMILES
NCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1- InChIKey
HAQDRXPKHOYXRC-UHFFFAOYSA-N- Molecular formula
- C9H13N3O4S
- Average molar mass
- 259.28 g/mol
- Monoisotopic mass
- 259.06267708
Names & identifiers
- Preferred name
- N-(3-amino-propyl)-3-nitro-benzenesulfonamide
- IUPAC
- N-(3-aminopropyl)-3-nitrobenzenesulfonamide
Names & synonyms
SCHEMBL5149362HAQDRXPKHOYXRC-UHFFFAOYSA-NAKOS000194852DB-109572N-(3-amino-propyl)-3-nitro-benzenesulfonamide666719-54-6
Database identifiers
- PubChem CID
- 24711458
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 346
Related reactions
2 records
Compound notes
Loading…