Compound Identification
SMILES
CC1=C(C)C=C(C=C1)N(CC(=O)NC1=CC=CC=C1Br)S(C)(=O)=O
InChIKey
InChIKey=KCRSAZDVUXOFJT-UHFFFAOYSA-N
Formula
C17H19BrN2O3S
Mass
411.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Sulfanilides
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Sulfanilides
Intermediate Tree Nodes
Not available
Direct Parent
Sulfanilides
Alternative Parents
Alpha amino acids and derivatives Anilides o-Xylenes N-arylamides Bromobenzenes Organosulfonamides Organic sulfonamides Aryl bromides Aminosulfonyl compounds Secondary carboxylic acid amides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Sulfanilide - Anilide - N-arylamide - Xylene - O-xylene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
External Descriptors
Not available