4-methyl-N-{3-[2-(oxolan-3-yl)-1H-imidazol-1-yl]propyl}benzene-1-sulfonamide

• ChemBase ID: 328305
• Molecular Formular: C17H23N3O3S
• Molecular Mass: 349.44782
• Monoisotopic Mass: 349.14601261
• SMILES: S(=O)(=O)(c1ccc(cc1)C)NCCCn1c(ncc1)C1COCC1
• Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)NCCCn1ccnc1C1COCC1
• InChI: InChI=1S/C17H23N3O3S/c1-14-3-5-16(6-4-14)24(21,22)19-8-2-10-20-11-9-18-17(20)15-7-12-23-13-15/h3-6,9,11,15,19H,2,7-8,10,12-13H2,1H3
• InChIKey: OXHLLIRJESQDLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N-{3-[2-(oxolan-3-yl)-1H-imidazol-1-yl]propyl}benzene-1-sulfonamide
• IUPAC Traditional name: 4-methyl-N-{3-[2-(oxolan-3-yl)imidazol-1-yl]propyl}benzenesulfonamide
• Synonyms: 4-methyl-N-{3-[2-(tetrahydrofuran-3-yl)-1H-imidazol-1-yl]propyl}benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.403983
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6452646
• LogD (pH = 7.4): 1.4497194
• Log P: 1.5386701
• Molar Refractivity: 93.3961 cm^3
• Polarizability: 36.568424 Å^3
• Polar Surface Area: 73.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.38
• LOG S: -2.93
• Polar Surface Area: 73.22 Å^2
• Rotatable Bonds: 6