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1-Methylimidazole-4-sulfonamide - 98%, high purity , CAS No.111124-90-4
Basic Description
Synonyms
1-methylimidazole-4-sulfonamide | 111124-90-4 | 1-methyl-1H-imidazole-4-sulfonamide | 1-methyl-1h-imidazole-4-sulphonamide | MixCom1_000094 | Maybridge1_000050 | SPR_7 | SCHEMBL50543 | BDBM36003 | DTXSID10371677 | QBJSSOBNVYDCDQ-UHFFFAOYSA-N | CCG-40808 | MFCD02091382 | 1-methyl-1
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
N-substituted imidazoles
Alternative Parents
Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-substituted imidazole - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Azacycle - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
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
1-methylimidazole-4-sulfonamide
INCHI
InChI=1S/C4H7N3O2S/c1-7-2-4(6-3-7)10(5,8)9/h2-3H,1H3,(H2,5,8,9)
InChIKey
QBJSSOBNVYDCDQ-UHFFFAOYSA-N
Smiles
CN1C=C(N=C1)S(=O)(=O)N
Isomeric SMILES
CN1C=C(N=C1)S(=O)(=O)N
Molecular Weight
161.2
Reaxy-Rn
14308845
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14308845&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
161.190 g/mol
XLogP3
-1.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
161.026 Da
Monoisotopic Mass
161.026 Da
Topological Polar Surface Area
86.400 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
207.000
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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