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4-(3-Ethanesulfonylaminophenyl)-4-ethyl-N-hexylpiperidine

HCID 23001046
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCCCCN1CCC(CC)(c2cccc(NS(=O)(=O)CC)c2)CC1
InChIKey
QAZRXCYZMFCZKB-UHFFFAOYSA-N
Molecular formula
C21H36N2O2S
Average molar mass
380.6 g/mol

Names & identifiers

Preferred name
4-(3-Ethanesulfonylaminophenyl)-4-ethyl-N-hexylpiperidine
IUPAC
N-[3-(4-ethyl-1-hexylpiperidin-4-yl)phenyl]ethanesulfonamide

Names & synonyms

SCHEMBL6659837QAZRXCYZMFCZKB-UHFFFAOYSA-N4-(3-Ethanesulfonylaminophenyl)-4-ethyl-N-hexylpiperidine

Database identifiers

PubChem CID
23001046

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
57.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
26
Formal charge
0
Complexity
493

Related reactions

1 records
New reaction record
HRID 397711 reaction equation
HRID 397711As productuspto-grants-2003_08

Compound notes

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