(1S,2S,4S)-4-(4-Bromo-2-trifluoromethyl-benzenesulfonyl)-2-methoxy-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide

HCID 59619475
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Basic information

Standard SMILES
CO[C@H]1C[C@@H](S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C[C@@H]1C(=O)NC1(C#N)CC1
InChIKey
RJUDIDCZSLIHHM-OBJOEFQTSA-N
Molecular formula
C18H18BrF3N2O4S
Average molar mass
495.3 g/mol

Names & identifiers

Preferred name
(1S,2S,4S)-4-(4-Bromo-2-trifluoromethyl-benzenesulfonyl)-2-methoxy-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide
IUPAC
(1S,2S,4S)-4-[4-bromo-2-(trifluoromethyl)phenyl]sulfonyl-N-(1-cyanocyclopropyl)-2-methoxycyclopentane-1-carboxamide

Names & synonyms

(1S,2S,4S)-4-(4-Bromo-2-trifluoromethyl-benzenesulfonyl)-2-methoxy-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amideSCHEMBL1139000

Database identifiers

PubChem CID
59619475

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
105 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
29

Related reactions

16 records
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Compound notes

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