Basic information
- Standard SMILES
C[C@@H](N)CN(CCc1ccccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
BBCXDNFJJMEBNZ-CYBMUJFWSA-N- Molecular formula
- C17H20ClN3O4S
- Average molar mass
- 397.9 g/mol
- Monoisotopic mass
- 397.086305
Names & identifiers
- Preferred name
- (R)-N-(2-aminopropyl)-N-(2-chlorophenethyl)-2-nitrobenzenesulfonamide
- IUPAC
- N-[(2R)-2-aminopropyl]-N-[2-(2-chlorophenyl)ethyl]-2-nitrobenzenesulfonamide
Names & synonyms
SCHEMBL15311812BBCXDNFJJMEBNZ-CYBMUJFWSA-N(R)-N-(2-aminopropyl)-N-(2-chlorophenethyl)-2-nitrobenzenesulfonamide
Database identifiers
- PubChem CID
- 86699360
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 563
Related reactions
2 records
Compound notes
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