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Home Sulfos 5-Chloro-1,3-dimethyl-1H-pyrazole-4-sulfonamide

5-Chloro-1,3-dimethyl-1H-pyrazole-4-sulfonamide

CAS No.:
88398-46-3
Catalog Number:
AG004IB3
Molecular Formula:
C5H8ClN3O2S
Molecular Weight:
209.6539
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Product Description
Catalog Number:
AG004IB3
Chemical Name:
5-Chloro-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CAS Number:
88398-46-3
Molecular Formula:
C5H8ClN3O2S
Molecular Weight:
209.6539
MDL Number:
MFCD00105874
IUPAC Name:
5-chloro-1,3-dimethylpyrazole-4-sulfonamide
InChI:
InChI=1S/C5H8ClN3O2S/c1-3-4(12(7,10)11)5(6)9(2)8-3/h1-2H3,(H2,7,10,11)
InChI Key:
NYDANSQFEDVGJL-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1S(=O)(=O)N)Cl)C
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.003g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.648g/mol
Monoisotopic Mass:
209.003g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
C-8 Modifications of 3-alkyl-1,8-dibenzylxanthines as inhibitors of human cytosolic phosphoenolpyruvate carboxykinase. Bioorganic & medicinal chemistry letters 20070715
Properties