The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
1-(4-cyanophenyl)methanesulfonamide - ≥95%, high purity , CAS No.191868-54-9
Basic Description
Synonyms
(4-cyanophenyl)methanesulfonamide | 1-(4-cyanophenyl)methanesulfonamide | 191868-54-9 | Benzenemethanesulfonamide, 4-cyano- | SCHEMBL3124861 | SZJRAEXJNGIIDT-UHFFFAOYSA-N | MFCD07689448 | AKOS008065344 | AM100450 | BS-31933 | CS-0213029 | EN300-15345 | Z132909012
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzonitrile - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Carbonitrile - Nitrile - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
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.
Names and Identifiers
Pubchem Sid
504764718
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504764718
IUPAC Name
(4-cyanophenyl)methanesulfonamide
INCHI
InChI=1S/C8H8N2O2S/c9-5-7-1-3-8(4-2-7)6-13(10,11)12/h1-4H,6H2,(H2,10,11,12)
InChIKey
SZJRAEXJNGIIDT-UHFFFAOYSA-N
Smiles
C1=CC(=CC=C1CS(=O)(=O)N)C#N
Isomeric SMILES
C1=CC(=CC=C1CS(=O)(=O)N)C#N
Molecular Weight
196.226
Reaxy-Rn
3269771
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3269771&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
196.230 g/mol
XLogP3
0.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
196.031 Da
Monoisotopic Mass
196.031 Da
Topological Polar Surface Area
92.300 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
301.000
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
H2104077