Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)N1[C@H]2CS(=O)C[C@H]2NC2=CC=CC=C12
InChIKey
InChIKey=BZVUNXFQOZIZMQ-MNJWVGMUSA-N
Formula
C17H15ClN2O2S
Mass
346.83
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
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoyl derivatives Secondary alkylarylamines Chlorobenzenes Aryl chlorides Thiolanes Tertiary carboxylic acid amides Sulfoxides Amino acids and derivatives Sulfinyl compounds Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Thiolane - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Sulfoxide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfinyl compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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