N-cyclopropyl-3-({1-oxaspiro[4.5]decan-3-yl}sulfamoyl)benzamide

• ChemBase ID: 411413
• Molecular Formular: C19H26N2O4S
• Molecular Mass: 378.48574
• Monoisotopic Mass: 378.16132832
• SMILES: S(=O)(=O)(NC1CC2(OC1)CCCCC2)c1cc(C(=O)NC2CC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NC1COC2(C1)CCCCC2)NC1CC1
• InChI: InChI=1S/C19H26N2O4S/c22-18(20-15-7-8-15)14-5-4-6-17(11-14)26(23,24)21-16-12-19(25-13-16)9-2-1-3-10-19/h4-6,11,15-16,21H,1-3,7-10,12-13H2,(H,20,22)
• InChIKey: AKIRGCQTPHTFGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-({1-oxaspiro[4.5]decan-3-yl}sulfamoyl)benzamide
• IUPAC Traditional name: N-cyclopropyl-3-({1-oxaspiro[4.5]decan-3-yl}sulfamoyl)benzamide
• Synonyms: N-cyclopropyl-3-[(1-oxaspiro[4.5]dec-3-ylamino)sulfonyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.866075
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9670825
• LogD (pH = 7.4): 1.9657861
• Log P: 1.9670992
• Molar Refractivity: 98.8128 cm^3
• Polarizability: 39.07694 Å^3
• Polar Surface Area: 84.5 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: 2.23
• LOG S: -3.86
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 4