3-n-Butyl-4-[(3-fluoro-2'-sulfamoylbiphenyl-4-yl)methyl]-1-[5-nitro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carbonitrile

HCID 19783170
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCc1nn(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)c(C#N)c1Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1F
InChIKey
NXVCZXHUPKWQSQ-UHFFFAOYSA-N
Molecular formula
C28H23F4N5O4S
Average molar mass
601.6 g/mol
Monoisotopic mass
601.14068805

Names & identifiers

Preferred name
3-n-Butyl-4-[(3-fluoro-2'-sulfamoylbiphenyl-4-yl)methyl]-1-[5-nitro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carbonitrile
IUPAC
2-[4-[[3-butyl-5-cyano-1-[5-nitro-2-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-3-fluorophenyl]benzenesulfonamide

Names & synonyms

3-n-Butyl-4-[(3-fluoro-2'-sulfamoylbiphenyl-4-yl)methyl]-1-[5-nitro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carbonitrileSCHEMBL9593731

Database identifiers

PubChem CID
19783170

Properties

Computed structural properties

XLogP
6.6
Topological polar surface area
156 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
8
Heavy atoms
42

Related reactions

2 records
New reaction record

Compound notes

Loading…