N-{1,9-dioxaspiro[5.5]undecan-4-yl}-2-methoxy-5-sulfamoylbenzamide

• ChemBase ID: 778373
• Molecular Formular: C17H24N2O6S
• Molecular Mass: 384.44726
• Monoisotopic Mass: 384.1355075
• SMILES: S(=O)(=O)(c1cc(C(=O)NC2CC3(OCC2)CCOCC3)c(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1C(=O)NC1CCOC2(C1)CCOCC2)S(=O)(=O)N
• InChI: InChI=1S/C17H24N2O6S/c1-23-15-3-2-13(26(18,21)22)10-14(15)16(20)19-12-4-7-25-17(11-12)5-8-24-9-6-17/h2-3,10,12H,4-9,11H2,1H3,(H,19,20)(H2,18,21,22)
• InChIKey: RENTUQJBTNNRJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1,9-dioxaspiro[5.5]undecan-4-yl}-2-methoxy-5-sulfamoylbenzamide
• IUPAC Traditional name: N-{1,9-dioxaspiro[5.5]undecan-4-yl}-2-methoxy-5-sulfamoylbenzamide
• Synonyms: 5-(aminosulfonyl)-N-1,9-dioxaspiro[5.5]undec-4-yl-2-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.233366
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.6579446
• LogD (pH = 7.4): -0.6585017
• Log P: -0.6579374
• Molar Refractivity: 95.4948 cm^3
• Polarizability: 37.58042 Å^3
• Polar Surface Area: 116.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.19
• LOG S: -2.57
• Polar Surface Area: 116.95 Å^2
• Rotatable Bonds: 4