Basic information
- CAS
850348-83-3- Standard SMILES
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1- InChIKey
ZTOWOMKHJUOYHO-UHFFFAOYSA-N- Molecular formula
- C18H15Cl2N3O3S
- Average molar mass
- 424.3 g/mol
- Monoisotopic mass
- 423.0211179
Names & identifiers
- Preferred name
- 2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile
- IUPAC
- 2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
Names & synonyms
DTXSID3011732012-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrileAKOS008442127850348-83-32-[4-(3,4-Dichlorobenzoyl)piperazine-1-sulfonyl]benzonitrile
Database identifiers
- CAS
850348-83-3- PubChem CID
- 4822232
- DTXSID
DTXSID301173201
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 694
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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