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1-(4-Chloro-benzenesulfonyl)-piperazine - 95%, high purity , CAS No.16017-53-1
Basic Description
Synonyms
16017-53-1 | 1-(4-Chloro-benzenesulfonyl)-piperazine | 1-[(4-chlorophenyl)sulfonyl]piperazine | 1-((4-Chlorophenyl)sulfonyl)piperazine | 1-(4-chlorophenyl)sulfonylpiperazine | 1-(4-Chlorobenzenesulfonyl)piperazine | Piperazine, 1-[(4-chlorophenyl)sulfonyl]- | 1-(4-chlo
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonamides
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonamides
Alternative Parents
Benzenesulfonyl compounds Chlorobenzenes Piperazines Organosulfonamides Aryl chlorides Sulfonyls Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonamide - Benzenesulfonyl group - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-(4-chlorophenyl)sulfonylpiperazine
INCHI
InChI=1S/C10H13ClN2O2S/c11-9-1-3-10(4-2-9)16(14,15)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey
CKVKEBVACPUEIB-UHFFFAOYSA-N
Smiles
C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)Cl
Isomeric SMILES
C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)Cl
Molecular Weight
260.7
Reaxy-Rn
616964
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=616964&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
260.740 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
260.039 Da
Monoisotopic Mass
260.039 Da
Topological Polar Surface Area
57.800 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
314.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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