N-[3-(cyclopentyloxy)propyl]-3-(pyrrolidine-1-carbonyl)benzene-1-sulfonamide

• ChemBase ID: 580949
• Molecular Formular: C19H28N2O4S
• Molecular Mass: 380.50162
• Monoisotopic Mass: 380.17697839
• SMILES: S(=O)(=O)(c1cc(C(=O)N2CCCC2)ccc1)NCCCOC1CCCC1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NCCCOC1CCCC1)N1CCCC1
• InChI: InChI=1S/C19H28N2O4S/c22-19(21-12-3-4-13-21)16-7-5-10-18(15-16)26(23,24)20-11-6-14-25-17-8-1-2-9-17/h5,7,10,15,17,20H,1-4,6,8-9,11-14H2
• InChIKey: WRGJMILBAKERDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclopentyloxy)propyl]-3-(pyrrolidine-1-carbonyl)benzene-1-sulfonamide
• IUPAC Traditional name: N-[3-(cyclopentyloxy)propyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
• Synonyms: N-[3-(cyclopentyloxy)propyl]-3-(pyrrolidin-1-ylcarbonyl)benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.881405
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8744125
• LogD (pH = 7.4): 1.873161
• Log P: 1.8744286
• Molar Refractivity: 101.8475 cm^3
• Polarizability: 39.79543 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.75
• LOG S: -3.47
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 7