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N-Ethyl 3-bromo-5-methylbenzenesulfonamide - 98%, high purity , CAS No.951885-52-2
Basic Description
Synonyms
951885-52-2 | 3-Bromo-N-ethyl-5-methylbenzenesulfonamide | N-Ethyl 3-bromo-5-methylbenzenesulfonamide | N-ethyl-3-bromo-5-methylbenzenesulfonamide | 3-Bromo-N-ethyl-5-methylbenzenesulphonamide | 3-Bromo-N-ethyl-5-methylbenzene-1-sulfonamide | SCHEMBL24269968 | DTXSID30
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
Benzenesulfonamides
Alternative Parents
Benzenesulfonyl compounds Toluenes Bromobenzenes Organosulfonamides Aryl bromides Aminosulfonyl compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonamide - Benzenesulfonyl group - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Organosulfonic acid amide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen 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
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
3-bromo-N-ethyl-5-methylbenzenesulfonamide
INCHI
InChI=1S/C9H12BrNO2S/c1-3-11-14(12,13)9-5-7(2)4-8(10)6-9/h4-6,11H,3H2,1-2H3
InChIKey
DMARLJQSKFGCTP-UHFFFAOYSA-N
Smiles
CCNS(=O)(=O)C1=CC(=CC(=C1)C)Br
Isomeric SMILES
CCNS(=O)(=O)C1=CC(=CC(=C1)C)Br
Molecular Weight
278.2
Reaxy-Rn
40239486
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40239486&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
278.170 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
276.977 Da
Monoisotopic Mass
276.977 Da
Topological Polar Surface Area
54.600 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
273.000
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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