2-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-N-(3-sulfamoylphenyl)acetamide
Basic information
- CAS
5474-23-7- Standard SMILES
NS(=O)(=O)c1cccc(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1- InChIKey
WFVIKMFGKOUFLY-UHFFFAOYSA-N- Molecular formula
- C20H24N4O5S
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.14674105
Names & identifiers
- Preferred name
- 2-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-N-(3-sulfamoylphenyl)acetamide
- IUPAC
- 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide
Names & synonyms
5474-23-7MLS000336571CHEMBL1384941DTXSID30409688HMS2559K17AKOS008013039WAY-344442SMR000248183AB00559097-06T5214156Z462053492-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-N-(3-sulfamoylphenyl)acetamide
Database identifiers
- CAS
5474-23-7- PubChem CID
- 5203489
- DTXSID
DTXSID30409688- ChEMBL
CHEMBL1384941
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 692
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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