N-cyclobutyl-3-[(oxan-2-ylmethyl)sulfamoyl]benzamide

• ChemBase ID: 379340
• Molecular Formular: C17H24N2O4S
• Molecular Mass: 352.44846
• Monoisotopic Mass: 352.14567826
• SMILES: S(=O)(=O)(NCC1OCCCC1)c1cc(C(=O)NC2CCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NCC1CCCCO1)NC1CCC1
• InChI: InChI=1S/C17H24N2O4S/c20-17(19-14-6-4-7-14)13-5-3-9-16(11-13)24(21,22)18-12-15-8-1-2-10-23-15/h3,5,9,11,14-15,18H,1-2,4,6-8,10,12H2,(H,19,20)
• InChIKey: BZRLFBHAWVXZQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.875835
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6505436
• LogD (pH = 7.4): 1.6492759
• Log P: 1.6505599
• Molar Refractivity: 91.7556 cm^3
• Polarizability: 36.127697 Å^3
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.52
• LOG S: -3.07
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 5