2-{2-[4-(furan-2-yl)phenyl]-1H-imidazol-1-yl}-N,N-dimethylethane-1-sulfonamide

• ChemBase ID: 498534
• Molecular Formular: C17H19N3O3S
• Molecular Mass: 345.41606
• Monoisotopic Mass: 345.11471248
• SMILES: S(=O)(=O)(CCn1c(ncc1)c1ccc(c2occc2)cc1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)CCn1ccnc1c1ccc(cc1)c1ccco1)C
• InChI: InChI=1S/C17H19N3O3S/c1-19(2)24(21,22)13-11-20-10-9-18-17(20)15-7-5-14(6-8-15)16-4-3-12-23-16/h3-10,12H,11,13H2,1-2H3
• InChIKey: YZEKFBOMGGJHJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[4-(furan-2-yl)phenyl]-1H-imidazol-1-yl}-N,N-dimethylethane-1-sulfonamide
• IUPAC Traditional name: 2-{2-[4-(furan-2-yl)phenyl]imidazol-1-yl}-N,N-dimethylethanesulfonamide
• Synonyms: 2-{2-[4-(2-furyl)phenyl]-1H-imidazol-1-yl}-N,N-dimethylethanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1285453
• LogD (pH = 7.4): 1.683792
• Log P: 1.703461
• Molar Refractivity: 102.5533 cm^3
• Polarizability: 37.89477 Å^3
• Polar Surface Area: 68.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.38
• LOG S: -3.75
• Polar Surface Area: 68.34 Å^2
• Rotatable Bonds: 5