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N-[1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-4-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide

HCID 76743565
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(NC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3ccncc3)cc2)CC1)c1ccc(F)cc1
InChIKey
UVFUBJNOCCZMJE-UHFFFAOYSA-N
Molecular formula
C26H28FN3O3S
Average molar mass
481.6 g/mol
Monoisotopic mass
481.1835411

Names & identifiers

Preferred name
N-[1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-4-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
IUPAC
N-[1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-4-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide

Database identifiers

PubChem CID
76743565

Properties

Computed structural properties

XLogP
4
Topological polar surface area
96.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
34
Formal charge
0
Complexity
744

Related reactions

1 records
New reaction record
HRID 317137 reaction equation
HRID 317137As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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