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
N-[4-cyano-2-iodo-5-(trifluoromethyl)phenyl]methanesulfonamide - ≥95%, high purity , CAS No.868692-62-0
Basic Description
Specifications & Purity
≥95%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Sulfanilides
Intermediate Tree Nodes
Not available
Direct Parent
Sulfanilides
Alternative Parents
Trifluoromethylbenzenes Benzonitriles Iodobenzenes Organosulfonamides Organic sulfonamides Aryl iodides Aminosulfonyl compounds Nitriles Organopnictogen compounds Organoiodides Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Trifluoromethylbenzene - Sulfanilide - Benzonitrile - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Organic sulfonic acid amide - Organosulfonic acid amide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Nitrile - Carbonitrile - Organosulfur compound - Organonitrogen compound - Organoiodide - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
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
IUPAC Name
N-[4-cyano-2-iodo-5-(trifluoromethyl)phenyl]methanesulfonamide
INCHI
InChI=1S/C9H6F3IN2O2S/c1-18(16,17)15-8-3-6(9(10,11)12)5(4-14)2-7(8)13/h2-3,15H,1H3
InChIKey
ZYCQEKLESGZXKU-UHFFFAOYSA-N
Smiles
CS(=O)(=O)NC1=C(C=C(C(=C1)C(F)(F)F)C#N)I
Isomeric SMILES
CS(=O)(=O)NC1=C(C=C(C(=C1)C(F)(F)F)C#N)I
PubChem CID
21091191
Molecular Weight
390.12
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
390.120 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
2
Exact Mass
389.915 Da
Monoisotopic Mass
389.915 Da
Topological Polar Surface Area
78.300 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
451.000
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.
