(benzylsulfamoyl)[3-(2-chlorophenoxy)propyl]methylamine

• ChemBase ID: 633845
• Molecular Formular: C17H21ClN2O3S
• Molecular Mass: 368.87824
• Monoisotopic Mass: 368.09614122
• SMILES: S(=O)(=O)(NCc1ccccc1)N(CCCOc1c(Cl)cccc1)C
• Canonical SMILES: Clc1ccccc1OCCCN(S(=O)(=O)NCc1ccccc1)C
• InChI: InChI=1S/C17H21ClN2O3S/c1-20(12-7-13-23-17-11-6-5-10-16(17)18)24(21,22)19-14-15-8-3-2-4-9-15/h2-6,8-11,19H,7,12-14H2,1H3
• InChIKey: KAVBKNXKNBSYKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (benzylsulfamoyl)[3-(2-chlorophenoxy)propyl]methylamine
• IUPAC Traditional name: (benzylsulfamoyl)[3-(2-chlorophenoxy)propyl]methylamine
• Synonyms: N'-benzyl-N-[3-(2-chlorophenoxy)propyl]-N-methylsulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.174735
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7122495
• LogD (pH = 7.4): 2.7121868
• Log P: 2.7122514
• Molar Refractivity: 96.3667 cm^3
• Polarizability: 38.53664 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.4
• LOG S: -4.79
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7