Jnj-7706621

C₁₅H₁₂F₂N₆O₃SCAS 443797-96-4394.36 g/mol

Open in Covalent MOL file

Aryl halide Primary amine Secondary amine Sulfonamide

Properties

Molecular formula: C₁₅H₁₂F₂N₆O₃S
Molar mass: 394.36 g/mol
Exact mass: 394.0660 Da
logP: 1.22Crippen estimate
Polar surface area: 146.0 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

443797-96-4

SMILES

C1=CC(=C(C(=C1)F)C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N)F

InChIKey

KDKUVYLMPJIGKA-UHFFFAOYSA-N

InChI

InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)

Weigh it out

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Work with Jnj-7706621

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

Carbonic anhydrase ix/xii inhibitor ii(U-104)178606-66-137 % similar 2,6-Difluorobenzenesulfonamide60230-37-737 % similar 4-Hydrazinobenzenesulfonamide4392-54-534 % similar 3,4-Difluorobenzenesulfonamide108966-71-833 % similar 4-Hydrazinylbenzenesulfonamide hydrochloride17852-52-732 % similar 4-Hydrazinobenzenesulfonamide hydrochloride27918-19-032 % similar 4-Fluorobenzenesulfonamide402-46-032 % similar 2-Fluorobenzenesulfonamide30058-40-331 % similar

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

Elsewhere

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