4-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-1-yl]benzene-1-sulfonamide

• ChemBase ID: 778972
• Molecular Formular: C19H19N3O3S
• Molecular Mass: 369.43746
• Monoisotopic Mass: 369.11471248
• SMILES: c1(c2cc3c(cc2OC)CCC3)n(c2ccc(S(=O)(=O)N)cc2)ccn1
• Canonical SMILES: COc1cc2CCCc2cc1c1nccn1c1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C19H19N3O3S/c1-25-18-12-14-4-2-3-13(14)11-17(18)19-21-9-10-22(19)15-5-7-16(8-6-15)26(20,23)24/h5-12H,2-4H2,1H3,(H2,20,23,24)
• InChIKey: SIVJIJDOBDPPIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-1-yl]benzene-1-sulfonamide
• IUPAC Traditional name: 4-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]benzenesulfonamide
• Synonyms: 4-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-1-yl]benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.79844
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9255922
• LogD (pH = 7.4): 3.211377
• Log P: 3.2172256
• Molar Refractivity: 120.6103 cm^3
• Polarizability: 40.10882 Å^3
• Polar Surface Area: 87.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.38
• LOG S: -4.78
• Polar Surface Area: 87.21 Å^2
• Rotatable Bonds: 4