Compound Identification
SMILES
NCCCNCCCCNCCCNC(=O)CCCCCNS(=O)(=O)C1=CC=C(CNC(=O)C2=CC=C(Cl)C=C2)S1
InChIKey
InChIKey=PFSCEFUZMKLDLV-UHFFFAOYSA-N
Formula
C28H45ClN6O4S2
Mass
629.28
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 Benzoyl derivatives 2,5-disubstituted thiophenes Chlorobenzenes Aryl chlorides Organosulfonamides N-acyl amines Heteroaromatic compounds Aminosulfonyl compounds Amino acids and derivatives Secondary carboxylic acid amides Dialkylamines Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Halobenzene - 2,5-disubstituted thiophene - Chlorobenzene - N-acyl-amine - Aryl chloride - Aryl halide - Fatty acyl - Fatty amide - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Thiophene - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Primary amine - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Organonitrogen compound - Organohalogen compound - Organochloride - 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