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1,3-dimethyl-1H-pyrazole-4-sulfonamide - 97%, high purity , CAS No.88398-53-2
Discover 1,3-dimethyl-1H-pyrazole-4-sulfonamide by Aladdin Scientific in 97% for only $45.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1,3-Dimethyl-1H-pyrazole-4-sulfonamide | 88398-53-2 | 1H-Pyrazole-4-sulfonamide, 1,3-dimethyl- | 1,3-Dimethylpyrazole-4-sulfonamide | MFCD06120837 | SCHEMBL4760209 | FQQRVLUHFKWHRT-UHFFFAOYSA-N | DTXSID701283822 | AMY34552 | AKOS003859048 | PB47888 | AS-53793 | SY099182 | CS-00527
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic sulfonic acids and derivatives
Subclass
Organosulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Organosulfonamides
Alternative Parents
Pyrazoles Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as organosulfonamides. These are compounds containing the sulfonamide functional group, an amide of sulfonic acid with the general structure R1S(=O)2N(R2)R3 (R1=alkyl, aryl; R2,R3=H, alkyl, aryl).
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
1,3-dimethylpyrazole-4-sulfonamide
INCHI
InChI=1S/C5H9N3O2S/c1-4-5(11(6,9)10)3-8(2)7-4/h3H,1-2H3,(H2,6,9,10)
InChIKey
FQQRVLUHFKWHRT-UHFFFAOYSA-N
Smiles
CC1=NN(C=C1S(=O)(=O)N)C
Isomeric SMILES
CC1=NN(C=C1S(=O)(=O)N)C
Molecular Weight
175.21
Reaxy-Rn
13638943
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13638943&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
175.210 g/mol
XLogP3
-0.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
175.042 Da
Monoisotopic Mass
175.042 Da
Topological Polar Surface Area
86.400 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
233.000
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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