Compound Identification
SMILES
CS(=O)(=O)N1CCC(CC1)NC(=O)C1=C(NC(=O)C2=C(F)C=CC(F)=C2Cl)C=NN1
InChIKey
InChIKey=XHUWMMCNGHAEBI-UHFFFAOYSA-N
Formula
C17H18ClF2N5O4S
Mass
461.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
3-halobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Benzamides 2-heteroaryl carboxamides Benzoyl derivatives Pyrazole-5-carboxamides Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Piperidines Organosulfonamides Organic sulfonamides Heteroaromatic compounds Vinylogous amides Vinylogous halides Sulfonyls Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Benzoyl - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Piperidine - Organic sulfonic acid amide - Organosulfonic acid amide - Azole - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Pyrazole - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available