Compound Identification
SMILES
CC1=CC=C(CNC2=C(Cl)C=CC(=C2)C(O)=O)S1
InChIKey
InChIKey=FJQCASYODYFNMN-UHFFFAOYSA-N
Formula
C13H12ClNO2S
Mass
281.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Aminobenzoic acids and derivatives
- Level 6 Aminobenzoic acids
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Level 5
Aminobenzoic acids and 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
Aminobenzoic acids and derivatives
Direct Parent
Aminobenzoic acids
Alternative Parents
4-halobenzoic acids Halobenzoic acids Benzoic acids Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Secondary alkylarylamines 2,5-disubstituted thiophenes Chlorobenzenes Aryl chlorides Heteroaromatic compounds Amino acids Carboxylic acids Hydrocarbon derivatives Organooxygen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Aminobenzoic acid - Halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Aralkylamine - Halobenzene - 2,5-disubstituted thiophene - Secondary aliphatic/aromatic amine - Chlorobenzene - Aryl halide - Aryl chloride - Thiophene - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
External Descriptors
Not available