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Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1N- InChIKey
DBGZFUDFJSVVTN-UHFFFAOYSA-N- Molecular formula
- C13H16N4O3S
- Average molar mass
- 308.36 g/mol
- Monoisotopic mass
- 308.09431156
Names & identifiers
- Preferred name
- 3-amino-N,N-bis(2-cyanoethyl)-4-methoxybenzenesulfonamide
- IUPAC
- 3-amino-N,N-bis(2-cyanoethyl)-4-methoxybenzenesulfonamide
Names & synonyms
NSC513292NSC-513292
Database identifiers
- PubChem CID
- 350613
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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