M-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-YL)benzenesulfonamide

C₁₀H₁₁N₃O₃SCAS 89-29-2253.28 g/mol

Open in Covalent MOL file

Amide Hydrazone Lactam Sulfonamide

Properties

Molecular formula: C₁₀H₁₁N₃O₃S
Molar mass: 253.28 g/mol
Exact mass: 253.0521 Da
logP: 0.45Crippen estimate
Polar surface area: 92.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation27.8% of notifiers
H319 Causes serious eye irritation27.8% of notifiers
H335 May cause respiratory irritation27.1% of notifiers

Aggregated from 144 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

Names and synonyms

10 names

3-Methyl-1-(3-sulfamidophenyl)-5-pyrazolone
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 M-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-YL)benzenesulfonamide

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 3-Methyl-1-(3'-chlorophenyl)-2-pyrazolin-5-one90-31-363 % similar Mci-18689-25-859 % 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 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid89-36-153 % 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 p-toluenesulphonate5098-14-6 Sulfamethoxazole723-46-6

Elsewhere

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