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N-((5-(4-cyano-2-fluorophenyl)pyridin-3-yl)(cyclopropyl)methyl)ethanesulfonamide

HCID 49820126
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCS(=O)(=O)NC(c1cncc(-c2ccc(C#N)cc2F)c1)C1CC1
InChIKey
OCQZCGOOKDVZLC-UHFFFAOYSA-N
Molecular formula
C18H18FN3O2S
Average molar mass
359.4 g/mol

Names & identifiers

Preferred name
N-((5-(4-cyano-2-fluorophenyl)pyridin-3-yl)(cyclopropyl)methyl)ethanesulfonamide
IUPAC
N-[[5-(4-cyano-2-fluorophenyl)-3-pyridinyl]-cyclopropylmethyl]ethanesulfonamide

Names & synonyms

SCHEMBL747041OCQZCGOOKDVZLC-UHFFFAOYSA-NN-((5-(4-cyano-2-fluorophenyl)pyridin-3-yl)(cyclopropyl)methyl)ethanesulfonamide

Database identifiers

PubChem CID
49820126

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
91.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
25
Formal charge
0
Complexity
608

Related reactions

5 records
New reaction record
HRID 298706 reaction equation
HRID 298706As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 391297 reaction equation
HRID 391297As productuspto-grants-2013_02
HRID 1897781 reaction equation
HRID 1897781As productuspto-grants-2013_08
HRID 2145910 reaction equation
HRID 2145910As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2407410 reaction equation
HRID 2407410As productuspto-grants-2014_08

Compound notes

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