N-(oxolan-3-yl)-3-(thiomorpholine-4-carbonyl)benzene-1-sulfonamide

• ChemBase ID: 826809
• Molecular Formular: C15H20N2O4S2
• Molecular Mass: 356.4603
• Monoisotopic Mass: 356.08644913
• SMILES: S(=O)(=O)(NC1CCOC1)c1cc(C(=O)N2CCSCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NC1CCOC1)N1CCSCC1
• InChI: InChI=1S/C15H20N2O4S2/c18-15(17-5-8-22-9-6-17)12-2-1-3-14(10-12)23(19,20)16-13-4-7-21-11-13/h1-3,10,13,16H,4-9,11H2
• InChIKey: XLGXFHTXFMUAND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxolan-3-yl)-3-(thiomorpholine-4-carbonyl)benzene-1-sulfonamide
• IUPAC Traditional name: N-(oxolan-3-yl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide
• Synonyms: N-(tetrahydrofuran-3-yl)-3-(thiomorpholin-4-ylcarbonyl)benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.863721
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.36331347
• LogD (pH = 7.4): 0.36200997
• Log P: 0.36333022
• Molar Refractivity: 90.9546 cm^3
• Polarizability: 35.531265 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.3
• LOG S: -2.85
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 3