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N-Methyl 3-Aminobenzenesulfonamide - 98%, high purity , CAS No.459434-40-3
Basic Description
Synonyms
3-amino-N-methylbenzenesulfonamide | 459434-40-3 | N-METHYL 3-AMINOBENZENESULFONAMIDE | 3-amino-N-methylbenzene-1-sulfonamide | MFCD07363815 | SCHEMBL687474 | DTXSID00428407 | SFCWILLFDXUKRB-UHFFFAOYSA-N | 3-Amino-N-methyl-benzenesulfonamide | N-Methyl-3-aminobenzene Sulfo
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
Aminobenzenesulfonamides
Alternative Parents
Benzenesulfonyl compounds Aniline and substituted anilines Organosulfonamides Aminosulfonyl compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminobenzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the 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-amino-N-methylbenzenesulfonamide
INCHI
InChI=1S/C7H10N2O2S/c1-9-12(10,11)7-4-2-3-6(8)5-7/h2-5,9H,8H2,1H3
InChIKey
SFCWILLFDXUKRB-UHFFFAOYSA-N
Smiles
CNS(=O)(=O)C1=CC=CC(=C1)N
Isomeric SMILES
CNS(=O)(=O)C1=CC=CC(=C1)N
Molecular Weight
186.2
Reaxy-Rn
6290220
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6290220&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
186.230 g/mol
XLogP3
0.000
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
186.046 Da
Monoisotopic Mass
186.046 Da
Topological Polar Surface Area
80.600 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
232.000
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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