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4-Cyanobenzenesulfonamide - 97%, high purity , CAS No.3119-02-6

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4-Cyanobenzenesulfonamide - 97%, high purity , CAS No.3119-02-6

COA

Grade & Purity:

≥97%

Cas Number: 3119-02-6
Molecular Weight: 182.2
PubChem CID: 76566
PubChem SID: 488185296

In stock

Item Number

C183594

Grouped product items
SKU	Size	Availability	Price
C183594-250mg	250mg	3	$67.90
C183594-1g	1g	4	$214.90
C183594-5g	5g	3	$756.90
C183594-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,644.90

Basic Description

Synonyms	4-cyanobenzenesulfonamide \| 3119-02-6 \| 4-cyanobenzene-1-sulfonamide \| 4-Cyanobenzenesulphonamide \| p-Cyanobenzenesulfonamide \| Benzenesulfonamide, 4-cyano- \| Benzenesulfonamide, p-cyano- \| 4-Cyano-benzenesulfonamide \| CHEMBL178209 \| NSC-77086 \| MFCD00178767 \| p-Cyanobenzenesu
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonamides
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonamides
Alternative Parents	Benzenesulfonyl compounds Benzonitriles Organosulfonamides Aminosulfonyl compounds Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonamide - Benzenesulfonyl group - Benzonitrile - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic homomonocyclic 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
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. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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	488185296
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185296
IUPAC Name	4-cyanobenzenesulfonamide
INCHI	InChI=1S/C7H6N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11)
InChIKey	UZECCNDOASGYNH-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C#N)S(=O)(=O)N
Isomeric SMILES	C1=CC(=CC=C1C#N)S(=O)(=O)N
Molecular Weight	182.2
Reaxy-Rn	2093857
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2093857&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot Number	Certificate Type	Date	Item
D2108175	Certificate of Analysis	Jan 02, 2024	C183594
D2108181	Certificate of Analysis	Jan 02, 2024	C183594
B23071222	Certificate of Analysis	Nov 29, 2022	C183594
B23071181	Certificate of Analysis	Nov 29, 2022	C183594
B23071239	Certificate of Analysis	Nov 29, 2022	C183594
B2307867	Certificate of Analysis	Nov 29, 2022	C183594
B23071235	Certificate of Analysis	Nov 29, 2022	C183594
B23071223	Certificate of Analysis	Nov 29, 2022	C183594
B23071224	Certificate of Analysis	Nov 29, 2022	C183594

Chemical and Physical Properties

Melt Point(°C)	168-171℃
Molecular Weight	182.200 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	182.015 Da
Monoisotopic Mass	182.015 Da
Topological Polar Surface Area	92.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	287.000
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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