Compound Identification
SMILES
OC=O.O[C@H](CF)CN1CCN(CC[C@H](CSC2=CC=CC=C2)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C2=CC=C(C=C2)N2CCC(CC2)[C@@H](O)C2=CC=CC=C2C2=CC=C(Cl)C=C2)S(=O)(=O)C(F)(F)F)CC1
InChIKey
InChIKey=CSSFRJQQEHKPMJ-IWRRLZQWSA-N
Formula
C50H56ClF4N5O9S3
Mass
1078.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
- Level 5 Chlorinated biphenyls
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Subclass
Biphenyls and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Chlorinated biphenyls
Alternative Parents
Phenylpiperidines Aminobenzenesulfonamides Aminobenzoic acids and derivatives Benzenesulfonyl compounds Thiophenol ethers Phenylalkylamines Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Secondary alkylarylamines Alkylarylthioethers N-alkylpiperazines Chlorobenzenes Aryl chlorides Aminosulfonyl compounds Organosulfonic acids and derivatives Sulfones 1,2-aminoalcohols Trihalomethanes Amino acids and derivatives Trialkylamines Secondary alcohols Fluorohydrins Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Sulfenyl compounds Organochlorides Organofluorides Aromatic alcohols Organopnictogen compounds Alkyl fluorides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Chlorinated biphenyl - Phenylpiperidine - Aminobenzenesulfonamide - Aminobenzoic acid or derivatives - Benzenesulfonamide - Benzoic acid or derivatives - Benzenesulfonyl group - Thiophenol ether - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - Aryl thioether - Benzoyl - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aralkylamine - Alkylarylthioether - N-alkylpiperazine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Piperidine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfone - Aminosulfonyl compound - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Trihalomethane - Fluorohydrin - Halohydrin - Secondary amine - Thioether - Sulfenyl compound - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organofluoride - Hydrocarbon derivative - Halomethane - Alkyl halide - Amine - Carbonyl group - Organosulfur compound - Organic oxide - Organopnictogen compound - Alcohol - Aromatic alcohol - Alkyl fluoride - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
External Descriptors
Not available