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C21H19N3O2S2CAS 1196723-93-9409.52 g/mol

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SOOHNNNS
Sulfonamide

Properties

Molecular formula
C21H19N3O2S2
Molar mass
409.52 g/mol
Exact mass
409.0919 Da
logP
4.96Crippen estimate
Polar surface area
64.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
6

Identifiers

CAS number
1196723-93-9
SMILES
CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4
InChIKey
KJTITGSAONQVPY-UHFFFAOYSA-N
InChI
InChI=1S/C21H19N3O2S2/c1-2-16-10-12-18(13-11-16)28(25,26)23-21-15-19(20-9-6-14-27-20)22-24(21)17-7-4-3-5-8-17/h3-15,23H,2H2,1H3

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Names and synonyms

1 names
  • 4-Ethyl-N-(1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-5-yl)benzenesulfonamide

Work with Hsf1A

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

Sulfaphenazole526-08-940 % similar 4-Ethylbenzenesulfonamide138-38-532 % similar

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

Elsewhere

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