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Home Sulfos Benzenesulfonamide, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-

Benzenesulfonamide, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-

CAS No.:
13269-73-3
Catalog Number:
AG00110F
Molecular Formula:
C10H11N3O3S
Molecular Weight:
253.2776
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Product Description
Catalog Number:
AG00110F
Chemical Name:
Benzenesulfonamide, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
CAS Number:
13269-73-3
Molecular Formula:
C10H11N3O3S
Molecular Weight:
253.2776
MDL Number:
MFCD00044062
IUPAC Name:
4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonamide
InChI:
InChI=1S/C10H11N3O3S/c1-7-6-10(14)13(12-7)8-2-4-9(5-3-8)17(11,15)16/h2-5H,6H2,1H3,(H2,11,15,16)
InChI Key:
GLOOJKUWIGSFGC-UHFFFAOYSA-N
SMILES:
O=C1CC(=NN1c1ccc(cc1)S(=O)(=O)N)C
EC Number:
236-265-6
Properties
Complexity:
444  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.052g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.276g/mol
Monoisotopic Mass:
253.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^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
Properties