Basic information
- CAS
1092697-33-0- Standard SMILES
Cl.O=S(=O)(N=C(c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1- InChIKey
NWRBFFPITLZRDU-UHFFFAOYSA-N- Molecular formula
- C25H25ClFN3O4S
- Average molar mass
- 518 g/mol
- Monoisotopic mass
- 517.1238333
Names & identifiers
- Preferred name
- Benzenesulfonamide, N-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]phenylmethylene]-4-fluoro-, hydrochloride (1:1)
- IUPAC
- N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-phenylmethylidene]-4-fluorobenzenesulfonamide;hydrochloride
Names & synonyms
DTXSID901382517AKOS0306966911092697-33-0Benzenesulfonamide, N-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]phenylmethylene]-4-fluoro-, hydrochloride (1:1)
Database identifiers
- CAS
1092697-33-0- PubChem CID
- 72033335
- DTXSID
DTXSID901382517
Properties
Computed structural properties
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 797
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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