N,N-dimethyl-3-[methyl(oxan-2-ylmethyl)sulfamoyl]benzamide

• ChemBase ID: 655641
• Molecular Formular: C16H24N2O4S
• Molecular Mass: 340.43776
• Monoisotopic Mass: 340.14567826
• SMILES: S(=O)(=O)(N(CC1OCCCC1)C)c1cc(C(=O)N(C)C)ccc1
• Canonical SMILES: CN(C(=O)c1cccc(c1)S(=O)(=O)N(CC1CCCCO1)C)C
• InChI: InChI=1S/C16H24N2O4S/c1-17(2)16(19)13-7-6-9-15(11-13)23(20,21)18(3)12-14-8-4-5-10-22-14/h6-7,9,11,14H,4-5,8,10,12H2,1-3H3
• InChIKey: QKUOQBNLINIGBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-[methyl(oxan-2-ylmethyl)sulfamoyl]benzamide
• IUPAC Traditional name: N,N-dimethyl-3-[methyl(oxan-2-ylmethyl)sulfamoyl]benzamide
• Synonyms: N,N-dimethyl-3-{[methyl(tetrahydro-2H-pyran-2-ylmethyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1877787
• LogD (pH = 7.4): 1.1877788
• Log P: 1.1877788
• Molar Refractivity: 89.7368 cm^3
• Polarizability: 35.01142 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.67
• LOG S: -2.25
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 4