Compound Identification
SMILES
CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)C2=CC(Cl)=C(Cl)C=C2)CCCCC1
InChIKey
InChIKey=JZSAEDAGEJMPGI-UHFFFAOYSA-N
Formula
C21H31Cl2N3O3S
Mass
476.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
4-halobenzoic acids and derivatives
Alternative Parents
3-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Dichlorobenzenes Cyclohexylamines N-alkylpiperazines Organic sulfonamides Organosulfonamides Aryl chlorides Sulfonyls Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - 1,2-dichlorobenzene - Benzoyl - Halobenzene - Chlorobenzene - N-alkylpiperazine - Cyclohexylamine - 1,4-diazinane - Aryl chloride - Organosulfonic acid amide - Aryl halide - Piperazine - Organic sulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available