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88398-58-7

88398-58-7 | 1H-Pyrazole-4-sulfonamide, 3,5-dimethyl-1-phenyl-

CAS No: 88398-58-7 Catalog No: AG004IB2 MDL No:

Product Description

Catalog Number:
AG004IB2
Chemical Name:
1H-Pyrazole-4-sulfonamide, 3,5-dimethyl-1-phenyl-
CAS Number:
88398-58-7
Molecular Formula:
C11H13N3O2S
Molecular Weight:
251.3048
IUPAC Name:
3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
InChI:
InChI=1S/C11H13N3O2S/c1-8-11(17(12,15)16)9(2)14(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,12,15,16)
InChI Key:
LALRAHMHYBYUNC-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1S(=O)(=O)N)C)c1ccccc1

Properties

Complexity:
359  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.073g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.304g/mol
Monoisotopic Mass:
251.073g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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