Compound Identification
SMILES
COC(=O)C1=C(NS(=O)(=O)C2=NN3C(=N2)N=CC=C3C)C(Cl)=CC=C1
InChIKey
InChIKey=KYSCBBAGAOWBDD-UHFFFAOYSA-N
Formula
C14H12ClN5O4S
Mass
381.79
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
3-halobenzoic acids and derivatives Sulfanilides Benzoic acid esters Benzoyl derivatives Chlorobenzenes Aryl chlorides Pyrimidines and pyrimidine derivatives Organosulfonamides Vinylogous amides Aminosulfonyl compounds Triazoles Heteroaromatic compounds Methyl esters Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,2,4-triazolopyrimidine-2-sulfonanilide - Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Sulfanilide - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Organosulfonic acid amide - Azole - Heteroaromatic compound - Vinylogous amide - Methyl ester - Aminosulfonyl compound - 1,2,4-triazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Triazole - Sulfonyl - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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