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N,N-dimethyl-3-(trifluoromethyl)-1H-pyrazole-1-sulfonamide - 97%, high purity , CAS No.922516-21-0
Basic Description
Synonyms
N,N-dimethyl-3-(trifluoromethyl)-1H-pyrazole-1-sulfonamide | 922516-21-0 | N,N-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide | starbld0043169 | SCHEMBL877521 | AKOS017343463 | CS-0137450 | E71985 | 3-Trifluoromethyl-pyrazole-1-sulfonic acid dimethyla
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazoles
Alternative Parents
Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.
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,N-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide
INCHI
InChI=1S/C6H8F3N3O2S/c1-11(2)15(13,14)12-4-3-5(10-12)6(7,8)9/h3-4H,1-2H3
InChIKey
IVWAPIVAHYHSKK-UHFFFAOYSA-N
Smiles
CN(C)S(=O)(=O)N1C=CC(=N1)C(F)(F)F
Isomeric SMILES
CN(C)S(=O)(=O)N1C=CC(=N1)C(F)(F)F
Molecular Weight
243.2
Reaxy-Rn
15600761
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15600761&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
243.210 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
2
Exact Mass
243.029 Da
Monoisotopic Mass
243.029 Da
Topological Polar Surface Area
63.600 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
321.000
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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