6-(4-methanesulfonylphenyl)-N,N-dimethylpyridazin-3-amine

• ChemBase ID: 693785
• Molecular Formular: C13H15N3O2S
• Molecular Mass: 277.3421
• Monoisotopic Mass: 277.08849774
• SMILES: S(=O)(=O)(c1ccc(c2nnc(N(C)C)cc2)cc1)C
• Canonical SMILES: CN(c1ccc(nn1)c1ccc(cc1)S(=O)(=O)C)C
• InChI: InChI=1S/C13H15N3O2S/c1-16(2)13-9-8-12(14-15-13)10-4-6-11(7-5-10)19(3,17)18/h4-9H,1-3H3
• InChIKey: PBBZZTVLKVXADX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-methanesulfonylphenyl)-N,N-dimethylpyridazin-3-amine
• IUPAC Traditional name: 6-(4-methanesulfonylphenyl)-N,N-dimethylpyridazin-3-amine
• Synonyms: N,N-dimethyl-6-[4-(methylsulfonyl)phenyl]pyridazin-3-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.684542
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3461833
• LogD (pH = 7.4): 1.3516194
• Log P: 1.3516891
• Molar Refractivity: 77.2743 cm^3
• Polarizability: 30.2901 Å^3
• Polar Surface Area: 63.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.37
• LOG S: -1.54
• Polar Surface Area: 63.16 Å^2
• Rotatable Bonds: 3