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2-Amino-N-quinolin-8-yl-benzenesulfonamide - 98%, high purity , CAS No.16082-64-7
an apoptosis inducer that inhibits cell cycle at G2 phase
Basic Description
Synonyms
CU-00000000193-2 | AB00074880-01 | D92911 | Oprea1_584159 | 2-amino-N-(quinolin-8-yl)benzenesulfonamide | NCGC00161683-04 | HY-115683 | CBDivE_007127 | AKOS000154013 | NCGC00161683-03 | DTXSID90360049 | NUN-82647; NUN 82647;QBS;2-Amino-N-quinolin-8-yl-ben
Specifications & Purity
≥98%
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
Aminobenzenesulfonamides
Alternative Parents
Sulfanilides Quinolines and derivatives Benzenesulfonyl compounds Aniline and substituted anilines Pyridines and derivatives Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminobenzenesulfonamide - Quinoline - Sulfanilide - Benzenesulfonyl group - Aniline or substituted anilines - Pyridine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organonitrogen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the 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
Pubchem Sid
488191708
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488191708
IUPAC Name
2-amino-N-quinolin-8-ylbenzenesulfonamide
INCHI
InChI=1S/C15H13N3O2S/c16-12-7-1-2-9-14(12)21(19,20)18-13-8-3-5-11-6-4-10-17-15(11)13/h1-10,18H,16H2
InChIKey
NIOOKXAMJQVDGB-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)N)S(=O)(=O)NC2=CC=CC3=C2N=CC=C3
Isomeric SMILES
C1=CC=C(C(=C1)N)S(=O)(=O)NC2=CC=CC3=C2N=CC=C3
WGK Germany
3
Molecular Weight
299.35
Reaxy-Rn
426058
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=426058&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in DMSO: 22 mg/mL
Molecular Weight
299.300 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
299.073 Da
Monoisotopic Mass
299.073 Da
Topological Polar Surface Area
93.500 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
448.000
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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