N-Methyl-N-{[1-[3-(p-fluorophenoxy)propyl]-4-piperidyl]methyl}-5-isoquinolinesulfonamide

HCID 9890945
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Basic information

Standard SMILES
CN(CC1CCN(CCCOc2ccc(F)cc2)CC1)S(=O)(=O)c1cccc2cnccc12
InChIKey
YYQKWXWRWLWRGD-UHFFFAOYSA-N
Molecular formula
C25H30FN3O3S
Average molar mass
471.6 g/mol

Names & identifiers

Preferred name
N-Methyl-N-{[1-[3-(p-fluorophenoxy)propyl]-4-piperidyl]methyl}-5-isoquinolinesulfonamide
IUPAC
N-[[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methyl]-N-methylisoquinoline-5-sulfonamide

Names & synonyms

SCHEMBL9049718YYQKWXWRWLWRGD-UHFFFAOYSA-NN-Methyl-N-{[1-[3-(p-fluorophenoxy)propyl]-4-piperidyl]methyl}-5-isoquinolinesulfonamide

Database identifiers

PubChem CID
9890945

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
71.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
33

Related reactions

1 records
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Compound notes

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