Compound Identification
SMILES
CN(CC(CCN1CCC2(CN(C3=CC=CC=C23)S(C)(=O)=O)CC1)C1=CC(Cl)=C(Cl)C=C1)C(=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=HTIMAMWHQUQITQ-UHFFFAOYSA-N
Formula
C31H34Cl2FN3O3S
Mass
618.59
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
Benzamides Indoles and derivatives Dichlorobenzenes Benzoyl derivatives Aralkylamines Fluorobenzenes Piperidines Organosulfonamides Aryl chlorides Organic sulfonamides Aryl fluorides Sulfonyls Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Indole or derivatives - Benzamide - Benzoyl - 1,2-dichlorobenzene - Aralkylamine - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Organosulfonic acid amide - Piperidine - Organic sulfonic acid amide - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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