tert-Butyl 4-((2-chloro-6-fluorobenzyl)sulfonyl)piperazine-1-carboxylate
Basic information
- CAS
1420955-75-4- Standard SMILES
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1- InChIKey
ZXINAGYDBMUHRB-UHFFFAOYSA-N- Molecular formula
- C16H22ClFN2O4S
- Average molar mass
- 392.9 g/mol
- Monoisotopic mass
- 392.0972842
Names & identifiers
- Preferred name
- tert-Butyl 4-((2-chloro-6-fluorobenzyl)sulfonyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperazine-1-carboxylate
Names & synonyms
1420955-75-4tert-Butyl 4-((2-chloro-6-fluorobenzyl)sulfonyl)piperazine-1-carboxylate1-Piperazinecarboxylic acid, 4-[[(2-chloro-6-fluorophenyl)methyl]sulfonyl]-, 1,1-dimethylethyl esterDTXSID101113516DB-246172TERT-BUTYL 4-[(2-CHLORO-6-FLUOROPHENYL)METHANESULFONYL]PIPERAZINE-1-CARBOXYLATEtert-butyl 4-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperazine-1-carboxylate
Database identifiers
- CAS
1420955-75-4- PubChem CID
- 71631958
- DTXSID
DTXSID101113516
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 568
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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