Basic information
- CAS
349397-06-4- Standard SMILES
N#CCN(CC#N)S(=O)(=O)c1ccc(Cl)cc1- InChIKey
FETPZLCBQCVISN-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3O2S
- Average molar mass
- 269.71 g/mol
- Monoisotopic mass
- 269.0025754
Names & identifiers
- Preferred name
- 4-Chloro-N,N-bis(cyanomethyl)benzenesulfonamide
- IUPAC
- 4-chloro-N,N-bis(cyanomethyl)benzenesulfonamide
Names & synonyms
4-Chloro-N,N-bis(cyanomethyl)benzenesulfonamide349397-06-4RefChem:2919832-{[(4-chlorophenyl)sulfonyl](cyanomethyl)amino}ethanenitrileFETPZLCBQCVISN-UHFFFAOYSA-NDTXSID201241439STK040516AKOS003283490ST0424584-Chloro-N,N-bis(cyanomethyl)benzenesulfonamide #Benzenesulfonamide, 4-chloro-N,N-di(cyanomethyl)-4-Chloro-N,N-bis(cyanomethyl)benzene-1-sulfonamide
Database identifiers
- CAS
349397-06-4- PubChem CID
- 574192
- DTXSID
DTXSID201241439
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…