Basic information
- CAS
423743-43-5- Standard SMILES
CS(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1- InChIKey
KSYUUZSYJYJIDQ-UHFFFAOYSA-N- Molecular formula
- C12H17BrN2O2S
- Average molar mass
- 333.25 g/mol
- Monoisotopic mass
- 332.01941
Names & identifiers
- Preferred name
- 1-(4-Bromo-benzyl)-4-methanesulfonyl-piperazine
- IUPAC
- 1-[(4-bromophenyl)methyl]-4-methylsulfonylpiperazine
Names & synonyms
423743-43-5Piperazine, 1-[(4-bromophenyl)methyl]-4-(methylsulfonyl)-1-(4-bromobenzyl)-4-(methylsulfonyl)piperazine1-(4-Bromo-benzyl)-4-methanesulfonyl-piperazine1-[(4-bromophenyl)methyl]-4-methylsulfonylpiperazineCBMicro_039991Cambridge id 5992377Oprea1_372543Oprea1_735575DTXSID80354937STK325368AKOS000548470
Show more names
BIM-0039912.P001ST50737711AB00101787-011-[(4-Bromophenyl)methyl]-4-(methanesulfonyl)piperazine4-[(4-bromophenyl)methyl]-1-(methylsulfonyl)piperazine
Database identifiers
- CAS
423743-43-5- PubChem CID
- 787149
- DTXSID
DTXSID80354937
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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