3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-N,N-dimethylbenzene-1-sulfonamide hydrochloride
Basic information
- CAS
1171083-42-3- Standard SMILES
CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1.Cl- InChIKey
BOGJTQAKLCOZAF-UHFFFAOYSA-N- Molecular formula
- C21H26ClN3O5S
- Average molar mass
- 468 g/mol
- Monoisotopic mass
- 467.1281698
Names & identifiers
- Preferred name
- 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-N,N-dimethylbenzene-1-sulfonamide hydrochloride
- IUPAC
- 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
Names & synonyms
1171083-42-33-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-N,N-dimethylbenzene-1-sulfonamide hydrochlorideAKOS0344559203-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide;hydrochlorideZ56797387
Database identifiers
- CAS
1171083-42-3- PubChem CID
- 42909323
Properties
Computed structural properties
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 702
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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