(4-{[(benzylsulfamoyl)amino]methyl}phenyl)methanol

• ChemBase ID: 747469
• Molecular Formular: C15H18N2O3S
• Molecular Mass: 306.38002
• Monoisotopic Mass: 306.10381345
• SMILES: S(=O)(=O)(NCc1ccccc1)NCc1ccc(cc1)CO
• Canonical SMILES: OCc1ccc(cc1)CNS(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C15H18N2O3S/c18-12-15-8-6-14(7-9-15)11-17-21(19,20)16-10-13-4-2-1-3-5-13/h1-9,16-18H,10-12H2
• InChIKey: BCFKHTSADREMIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-{[(benzylsulfamoyl)amino]methyl}phenyl)methanol
• IUPAC Traditional name: (4-{[(benzylsulfamoyl)amino]methyl}phenyl)methanol
• Synonyms: N-benzyl-N'-[4-(hydroxymethyl)benzyl]sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.750971
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.1376425
• LogD (pH = 7.4): 1.1374732
• Log P: 1.1376446
• Molar Refractivity: 82.6761 cm^3
• Polarizability: 32.89097 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.24
• LOG S: -2.49
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 5