4-{[2-(2-hydroxyethoxy)ethyl]sulfamoyl}-N-(oxolan-3-yl)benzamide

• ChemBase ID: 557261
• Molecular Formular: C15H22N2O6S
• Molecular Mass: 358.40998
• Monoisotopic Mass: 358.11985743
• SMILES: S(=O)(=O)(c1ccc(C(=O)NC2CCOC2)cc1)NCCOCCO
• Canonical SMILES: OCCOCCNS(=O)(=O)c1ccc(cc1)C(=O)NC1COCC1
• InChI: InChI=1S/C15H22N2O6S/c18-7-10-22-9-6-16-24(20,21)14-3-1-12(2-4-14)15(19)17-13-5-8-23-11-13/h1-4,13,16,18H,5-11H2,(H,17,19)
• InChIKey: AOHSSRZCKSLWME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[2-(2-hydroxyethoxy)ethyl]sulfamoyl}-N-(oxolan-3-yl)benzamide
• IUPAC Traditional name: 4-{[2-(2-hydroxyethoxy)ethyl]sulfamoyl}-N-(oxolan-3-yl)benzamide
• Synonyms: 4-({[2-(2-hydroxyethoxy)ethyl]amino}sulfonyl)-N-(tetrahydro-3-furanyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.890173
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -0.95859796
• LogD (pH = 7.4): -0.9598245
• Log P: -0.95858216
• Molar Refractivity: 88.0336 cm^3
• Polarizability: 34.584614 Å^3
• Polar Surface Area: 113.96 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 3
• Log P: -0.87
• LOG S: -2.38
• Polar Surface Area: 113.96 Å^2
• Rotatable Bonds: 8