(benzylsulfamoyl)[2-(7-methyl-1H-indol-3-yl)ethyl]amine

• ChemBase ID: 331728
• Molecular Formular: C18H21N3O2S
• Molecular Mass: 343.44324
• Monoisotopic Mass: 343.13544793
• SMILES: S(=O)(=O)(NCc1ccccc1)NCCc1c2c([nH]c1)c(ccc2)C
• Canonical SMILES: Cc1cccc2c1[nH]cc2CCNS(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C18H21N3O2S/c1-14-6-5-9-17-16(13-19-18(14)17)10-11-20-24(22,23)21-12-15-7-3-2-4-8-15/h2-9,13,19-21H,10-12H2,1H3
• InChIKey: LXJSBNCLBSHODP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (benzylsulfamoyl)[2-(7-methyl-1H-indol-3-yl)ethyl]amine
• IUPAC Traditional name: (benzylsulfamoyl)[2-(7-methyl-1H-indol-3-yl)ethyl]amine
• Synonyms: N-benzyl-N'-[2-(7-methyl-1H-indol-3-yl)ethyl]sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.782577
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.805836
• LogD (pH = 7.4): 2.8056796
• Log P: 2.805839
• Molar Refractivity: 96.7429 cm^3
• Polarizability: 39.180237 Å^3
• Polar Surface Area: 73.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 3
• Log P: 3.22
• LOG S: -4.45
• Polar Surface Area: 73.99 Å^2
• Rotatable Bonds: 5