1-[2-(2,4-Difluorophenyl)ethyl]-4-[4-(2-methyltetrazol-5-yl)-phenylsulphonyl]piperidine

HCID 23499485

Basic information

Standard SMILES
Cn1nnc(-c2ccc(S(=O)(=O)C3CCN(CCc4ccc(F)cc4F)CC3)cc2)n1
InChIKey
ZRDHJKGZEBMIBD-UHFFFAOYSA-N
Molecular formula
C21H23F2N5O2S
Average molar mass
447.5 g/mol

Names & identifiers

Preferred name
1-[2-(2,4-Difluorophenyl)ethyl]-4-[4-(2-methyltetrazol-5-yl)-phenylsulphonyl]piperidine
IUPAC
1-[2-(2,4-difluorophenyl)ethyl]-4-[4-(2-methyltetrazol-5-yl)phenyl]sulfonylpiperidine

Names & synonyms

SCHEMBL6586878ZRDHJKGZEBMIBD-UHFFFAOYSA-NL0199521-[2-(2,4-Difluorophenyl)ethyl]-4-[4-(2-methyltetrazol-5-yl)-phenylsulphonyl]piperidine2-(2.4-Difluorophenyl)ethyl -4-[4-(2-methyltetrazol-5-yl)-phenylsulphonyl]piperidine

Database identifiers

PubChem CID
23499485

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
89.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
31

Related reactions

3 records

Compound notes

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