Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.C[C@@H](N)C1=NC2=C(S1)C=C(F)C=C2
InChIKey
InChIKey=JRUGBQZYEAYADQ-NUBCRITNSA-N
Formula
C16H17FN2O3S2
Mass
368.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
p-Methylbenzenesulfonates
Alternative Parents
Tosyl compounds Benzothiazoles Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aralkylamines Aryl fluorides Thiazoles Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - 1,3-benzothiazole - Toluene - Aralkylamine - Aryl fluoride - Aryl halide - Organic sulfonic acid or derivatives - Heteroaromatic compound - Azole - Thiazole - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
External Descriptors
Not available