3-n-Butyl-4-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-1-[2-chloro-5-(propionylamino)phenyl]-1H-pyrazole-5-carbonitrile

HCID 19783147
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Basic information

Standard SMILES
CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(C#N)c1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1F
InChIKey
JROSOJHTZQBQRN-UHFFFAOYSA-N
Molecular formula
C34H37ClFN5O3S
Average molar mass
650.2 g/mol

Names & identifiers

Preferred name
3-n-Butyl-4-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-1-[2-chloro-5-(propionylamino)phenyl]-1H-pyrazole-5-carbonitrile
IUPAC
N-[3-[3-butyl-4-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-5-cyanopyrazol-1-yl]-4-chlorophenyl]propanamide

Names & synonyms

SCHEMBL9593407JROSOJHTZQBQRN-UHFFFAOYSA-N3-n-Butyl-4-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-1-[2-chloro-5-(propionylamino)phenyl]-1H-pyrazole-5-carbonitrile

Database identifiers

PubChem CID
19783147

Properties

Computed structural properties

XLogP
7.5
Topological polar surface area
125 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
12
Heavy atoms
45

Related reactions

2 records
New reaction record

Compound notes

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