chempirical

3-Methyl-1-(3-sulfamidophenyl)-5-pyrazolone

C10H11N3O3SCAS 89-29-2253.28 g/mol

Open in Covalent MOL file
NNSH2NOOO
AmideHydrazoneLactamSulfonamide

Properties

Molecular formula
C10H11N3O3S
Molar mass
253.28 g/mol
Exact mass
253.0521 Da
logP
0.45Crippen estimate
Polar surface area
92.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
89-29-2
SMILES
CC1=NN(c2cccc(S(N)(=O)=O)c2)C(=O)C1
InChIKey
ASVVGQURNHNITH-UHFFFAOYSA-N
InChI
InChI=1S/C10H11N3O3S/c1-7-5-10(14)13(12-7)8-3-2-4-9(6-8)17(11,15)16/h2-4,6H,5H2,1H3,(H2,11,15,16)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Benzenesulfonamide, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
  • Benzenesulfonamide, m-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
  • 3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonamide
  • m-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonamide
  • 1-(3-Sulfamoylphenyl)-3-methyl-5-pyrazolone
  • 3-Methyl-1-(3-sulfamoylphenyl)-5-pyrazolone
  • NSC 15355
  • 3-(3-Methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonamide
  • 1-(3-Aminosulfonylphenyl)-3-methyl-5-pyrazolone

Work with 3-Methyl-1-(3-sulfamidophenyl)-5-pyrazolone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(3′-Sulfophenyl)-3-methyl-5-pyrazolone119-17-571 % similar 1-(3-Chlorophenyl)-3-methyl-5-pyrazolone90-31-363 % similar Edaravone89-25-859 % similar 1-(4-Chlorophenyl)-3-methyl-5-pyrazolone13024-90-353 % similar 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone14580-22-453 % similar 2-(3,4-Dimethylphenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one18048-64-153 % similar 1-(4′-Sulfophenyl)-3-methyl-5-pyrazolone89-36-153 % similar 1-P-Tolyl-3-methyl-5-pyrazolone86-92-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Aminomalononitrile tosylate5098-14-6 Sulfamethoxazole723-46-6

Elsewhere

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