Compound Identification
SMILES
CC(C)OC(=O)C1=C(Br)C(NS(=O)(=O)C2=NN3C(=N2)N=C(C)C=C3C(F)(F)F)=C(C)C=C1
InChIKey
InChIKey=MNZYUJPQJPUARU-UHFFFAOYSA-N
Formula
C18H17BrF3N5O4S
Mass
536.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Triazolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazolopyrimidines
Subclass
1,2,4-triazolopyrimidine-2-sulfonamides
Intermediate Tree Nodes
Not available
Direct Parent
1,2,4-triazolopyrimidine-2-sulfonanilides
Alternative Parents
2-halobenzoic acids and derivatives Benzoic acid esters Sulfanilides Benzoyl derivatives Toluenes Bromobenzenes Aryl bromides Pyrimidines and pyrimidine derivatives Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Triazoles Vinylogous halides Carboxylic acid esters Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organofluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,2,4-triazolopyrimidine-2-sulfonanilide - Benzoate ester - Sulfanilide - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Toluene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Pyrimidine - Benzenoid - Organosulfonic acid amide - Azole - Heteroaromatic compound - 1,2,4-triazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous halide - Triazole - Aminosulfonyl compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Alkyl halide - Organohalogen compound - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,2,4-triazolopyrimidine-2-sulfonanilides. These are polycyclic aromatic compounds containing a 1,2,4-triazolo[1,5-a]pyrimidine ring system, which is substituted with a sulfonanilide at the 2-position.
External Descriptors
Not available