N-[3-(furan-2-yl)propyl]-3-(morpholine-4-carbonyl)benzene-1-sulfonamide

• ChemBase ID: 459827
• Molecular Formular: C18H22N2O5S
• Molecular Mass: 378.44268
• Monoisotopic Mass: 378.12494281
• SMILES: S(=O)(=O)(c1cc(C(=O)N2CCOCC2)ccc1)NCCCc1occc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NCCCc1ccco1)N1CCOCC1
• InChI: InChI=1S/C18H22N2O5S/c21-18(20-9-12-24-13-10-20)15-4-1-7-17(14-15)26(22,23)19-8-2-5-16-6-3-11-25-16/h1,3-4,6-7,11,14,19H,2,5,8-10,12-13H2
• InChIKey: NTTWGNZVSIMAMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)propyl]-3-(morpholine-4-carbonyl)benzene-1-sulfonamide
• IUPAC Traditional name: N-[3-(furan-2-yl)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
• Synonyms: N-[3-(2-furyl)propyl]-3-(morpholin-4-ylcarbonyl)benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.881323
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2444707
• LogD (pH = 7.4): 1.2432189
• Log P: 1.2444868
• Molar Refractivity: 97.5724 cm^3
• Polarizability: 37.817543 Å^3
• Polar Surface Area: 88.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.83
• LOG S: -2.67
• Polar Surface Area: 88.85 Å^2
• Rotatable Bonds: 6