N-benzyl{[1-(furan-2-carbonyl)piperidin-3-yl]amino}sulfonamide

• ChemBase ID: 823603
• Molecular Formular: C17H21N3O4S
• Molecular Mass: 363.43134
• Monoisotopic Mass: 363.12527717
• SMILES: S(=O)(=O)(NC1CN(C(=O)c2occc2)CCC1)NCc1ccccc1
• Canonical SMILES: O=C(c1ccco1)N1CCCC(C1)NS(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C17H21N3O4S/c21-17(16-9-5-11-24-16)20-10-4-8-15(13-20)19-25(22,23)18-12-14-6-2-1-3-7-14/h1-3,5-7,9,11,15,18-19H,4,8,10,12-13H2
• InChIKey: RFSZOSJYFMGPCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl{[1-(furan-2-carbonyl)piperidin-3-yl]amino}sulfonamide
• IUPAC Traditional name: N-benzyl{[1-(furan-2-carbonyl)piperidin-3-yl]amino}sulfonamide
• Synonyms: N-benzyl-N'-[1-(2-furoyl)piperidin-3-yl]sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.526976
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.8060422
• LogD (pH = 7.4): 0.8057587
• Log P: 0.80604583
• Molar Refractivity: 93.8105 cm^3
• Polarizability: 36.831505 Å^3
• Polar Surface Area: 91.65 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.37
• LOG S: -3.02
• Polar Surface Area: 91.65 Å^2
• Rotatable Bonds: 4