1-(2-Bromo-5-nitrophenyl)-3-n-butyl-4-[(3-fluoro-2'-sulfamoylbiphenyl-4-yl)methyl]-1H-pyrazole-5-carbonitrile

HCID 19783161
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Basic information

Standard SMILES
CCCCc1nn(-c2cc([N+](=O)[O-])ccc2Br)c(C#N)c1Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1F
InChIKey
NOPIQEFMGWLGLG-UHFFFAOYSA-N
Molecular formula
C27H23BrFN5O4S
Average molar mass
612.5 g/mol

Names & identifiers

Preferred name
1-(2-Bromo-5-nitrophenyl)-3-n-butyl-4-[(3-fluoro-2'-sulfamoylbiphenyl-4-yl)methyl]-1H-pyrazole-5-carbonitrile
IUPAC
2-[4-[[1-(2-bromo-5-nitrophenyl)-3-butyl-5-cyanopyrazol-4-yl]methyl]-3-fluorophenyl]benzenesulfonamide

Names & synonyms

SCHEMBL9593449NOPIQEFMGWLGLG-UHFFFAOYSA-N1-(2-Bromo-5-nitrophenyl)-3-n-butyl-4-[(3-fluoro-2'-sulfamoylbiphenyl-4-yl)methyl]-1H-pyrazole-5-carbonitrile

Database identifiers

PubChem CID
19783161

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
156 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
39

Related reactions

2 records
New reaction record

Compound notes

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