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2-(Methanesulfonylamino)benzonitrile - 98%, high purity , CAS No.50790-29-9
Discover 2-(Methanesulfonylamino)benzonitrile by Aladdin Scientific in 98% for only $1,566.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
50790-29-9 | 2-(METHANESULFONYLAMINO)BENZONITRILE | n-(2-cyanophenyl)methanesulfonamide | MFCD00590384 | NSC73084 | pyrazol-1-carboxamidine | NCIOpen2_000640 | SCHEMBL1291534 | DTXSID00965024 | RKJYYYHFUOVDAD-UHFFFAOYSA-N | AC6259 | NSC-73084 | STL260759 | AKOS000176447 | BS-28863 | S
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Sulfanilides
Intermediate Tree Nodes
Not available
Direct Parent
Sulfanilides
Alternative Parents
Benzonitriles Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Sulfanilide - Benzonitrile - Organosulfonic acid amide - Organic sulfonic 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 - Organopnictogen compound - Organic oxygen 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-(2-cyanophenyl)methanesulfonamide
INCHI
InChI=1S/C8H8N2O2S/c1-13(11,12)10-8-5-3-2-4-7(8)6-9/h2-5,10H,1H3
InChIKey
RKJYYYHFUOVDAD-UHFFFAOYSA-N
Smiles
CS(=O)(=O)NC1=CC=CC=C1C#N
Isomeric SMILES
CS(=O)(=O)NC1=CC=CC=C1C#N
Molecular Weight
196.2
Reaxy-Rn
2107201
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2107201&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
196.230 g/mol
XLogP3
0.400
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
78.300 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
309.000
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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