5-(quinolin-8-yl)thiophene-2-sulfonamide

• ChemBase ID: 839262
• Molecular Formular: C13H10N2O2S2
• Molecular Mass: 290.3607
• Monoisotopic Mass: 290.01836957
• SMILES: S(=O)(=O)(c1sc(c2c3ncccc3ccc2)cc1)N
• Canonical SMILES: NS(=O)(=O)c1ccc(s1)c1cccc2c1nccc2
• InChI: InChI=1S/C13H10N2O2S2/c14-19(16,17)12-7-6-11(18-12)10-5-1-3-9-4-2-8-15-13(9)10/h1-8H,(H2,14,16,17)
• InChIKey: DGXXSCJHIZSBRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(quinolin-8-yl)thiophene-2-sulfonamide
• IUPAC Traditional name: 5-(quinolin-8-yl)thiophene-2-sulfonamide
• Synonyms: 5-quinolin-8-ylthiophene-2-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.860266
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3200054
• LogD (pH = 7.4): 2.3141272
• Log P: 2.3273005
• Molar Refractivity: 73.3232 cm^3
• Polarizability: 31.858757 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.16
• LOG S: -3.17
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 2