Compound Identification
SMILES
BrC1=CC=CC(=C1)C(=O)N1CCN(CC1)[C@H]1CCS(=O)(=O)C1
InChIKey
InChIKey=NIFBZWDDPSQFQR-AWEZNQCLSA-N
Formula
C15H19BrN2O3S
Mass
387.29
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
Benzamides Benzoyl derivatives N-alkylpiperazines Bromobenzenes Aryl bromides Thiolanes Tertiary carboxylic acid amides Sulfones Trialkylamines Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Benzoyl - Bromobenzene - Halobenzene - N-alkylpiperazine - Piperazine - Aryl bromide - Aryl halide - 1,4-diazinane - Thiolane - Tertiary carboxylic acid amide - Sulfone - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organobromide - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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