N,N-dimethyl-2-[(4-phenylbutan-2-yl)amino]ethane-1-sulfonamide

• ChemBase ID: 570685
• Molecular Formular: C14H24N2O2S
• Molecular Mass: 284.41756
• Monoisotopic Mass: 284.15584902
• SMILES: S(=O)(=O)(N(C)C)CCNC(CCc1ccccc1)C
• Canonical SMILES: CC(CCc1ccccc1)NCCS(=O)(=O)N(C)C
• InChI: InChI=1S/C14H24N2O2S/c1-13(9-10-14-7-5-4-6-8-14)15-11-12-19(17,18)16(2)3/h4-8,13,15H,9-12H2,1-3H3
• InChIKey: WONVNSYNKCSCCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-[(4-phenylbutan-2-yl)amino]ethane-1-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-2-[(4-phenylbutan-2-yl)amino]ethanesulfonamide
• Synonyms: N,N-dimethyl-2-[(1-methyl-3-phenylpropyl)amino]ethanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4091493
• LogD (pH = 7.4): 0.134215
• Log P: 1.5741664
• Molar Refractivity: 79.0959 cm^3
• Polarizability: 31.817835 Å^3
• Polar Surface Area: 49.41 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: 2.3
• LOG S: -2.23
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 7