N-benzyl-2-(furan-2-yl)pyrrolidine-1-sulfonamide

• ChemBase ID: 626769
• Molecular Formular: C15H18N2O3S
• Molecular Mass: 306.38002
• Monoisotopic Mass: 306.10381345
• SMILES: S(=O)(=O)(N1C(c2occc2)CCC1)NCc1ccccc1
• Canonical SMILES: O=S(=O)(N1CCCC1c1ccco1)NCc1ccccc1
• InChI: InChI=1S/C15H18N2O3S/c18-21(19,16-12-13-6-2-1-3-7-13)17-10-4-8-14(17)15-9-5-11-20-15/h1-3,5-7,9,11,14,16H,4,8,10,12H2
• InChIKey: OUABIPYQDDTBTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-(furan-2-yl)pyrrolidine-1-sulfonamide
• IUPAC Traditional name: N-benzyl-2-(furan-2-yl)pyrrolidine-1-sulfonamide
• Synonyms: N-benzyl-2-(2-furyl)pyrrolidine-1-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.555731
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6544783
• LogD (pH = 7.4): 1.654213
• Log P: 1.6544816
• Molar Refractivity: 80.359 cm^3
• Polarizability: 32.10768 Å^3
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.54
• LOG S: -2.75
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 3