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N-{(3aS*,4S*,6aR*)-2-[6,6-bis(4-fluorophenyl)hexyl]octahydrocyclopenta[c]pyrrol-4-yl}-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide

HCID 68416645
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CC1)[C@H]1CC[C@H]2CN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]21
InChIKey
RHLDTHZIKVCZHO-WCUSUSPOSA-N
Molecular formula
C35H39F5N2O2S
Average molar mass
646.8 g/mol

Names & identifiers

Preferred name
N-{(3aS*,4S*,6aR*)-2-[6,6-bis(4-fluorophenyl)hexyl]octahydrocyclopenta[c]pyrrol-4-yl}-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
IUPAC
N-[(3aS,4S,6aR)-2-[6,6-bis(4-fluorophenyl)hexyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide

Names & synonyms

SCHEMBL2851104RHLDTHZIKVCZHO-WCUSUSPOSA-NN-{(3aS*,4S*,6aR*)-2-[6,6-bis(4-fluorophenyl)hexyl]octahydrocyclopenta[c]pyrrol-4-yl}-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide

Database identifiers

PubChem CID
68416645

Properties

Computed structural properties

XLogP
8.8
Topological polar surface area
49 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
12
Heavy atoms
45
Formal charge
0
Complexity
1,030

Related reactions

2 records
New reaction record
HRID 1092555 reaction equation
HRID 1092555As productuspto-grants-2012_03
HRID 2363530 reaction equation
HRID 2363530As productuspto-grants-2014_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes