N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

• ChemBase ID: 276200
• Molecular Formular: C11H16N2O2S
• Molecular Mass: 240.32194
• Monoisotopic Mass: 240.09324876
• SMILES: S(=O)(=O)(c1cc2c(cc1)CCNC2)N(C)C
• Canonical SMILES: CN(S(=O)(=O)c1ccc2c(c1)CNCC2)C
• InChI: InChI=1S/C11H16N2O2S/c1-13(2)16(14,15)11-4-3-9-5-6-12-8-10(9)7-11/h3-4,7,12H,5-6,8H2,1-2H3
• InChIKey: GLUYRXISHOQGNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
• Synonyms: N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

Database IDs

• MDL Number: MFCD11577104
• PubChem SID: 164332110
• PubChem CID: 21393856

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.257659
• LogD (pH = 7.4): -0.6271472
• Log P: 0.62486607
• Molar Refractivity: 64.5669 cm^3
• Polarizability: 25.526848 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.79

Product Information

• Purity: 95%