(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-phenyl)-methanesulfonamide

HCID 69655403
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Basic information

Standard SMILES
C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1CS(N)(=O)=O
InChIKey
KOZPRCULTQMVRT-JKSUJKDBSA-N
Molecular formula
C22H27ClFN3O4S
Average molar mass
484 g/mol

Names & identifiers

Preferred name
(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-phenyl)-methanesulfonamide
IUPAC
[5-chloro-2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]methanesulfonamide

Names & synonyms

SCHEMBL6076311KOZPRCULTQMVRT-JKSUJKDBSA-N(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-phenyl)-methanesulfonamide

Database identifiers

PubChem CID
69655403

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

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