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

• ChemBase ID: 277433
• Molecular Formular: C11H16N2O2S
• Molecular Mass: 240.32194
• Monoisotopic Mass: 240.09324876
• SMILES: S(=O)(=O)(c1cc2NCCCc2cc1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)c1ccc2c(c1)NCCC2)C
• InChI: InChI=1S/C11H16N2O2S/c1-13(2)16(14,15)10-6-5-9-4-3-7-12-11(9)8-10/h5-6,8,12H,3-4,7H2,1-2H3
• InChIKey: KPZCJNTYEFJSIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18914651
• PubChem SID: 164333343
• PubChem CID: 53613709

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9775722
• LogD (pH = 7.4): 0.98378426
• Log P: 0.983864
• Molar Refractivity: 66.1137 cm^3
• Polarizability: 25.153393 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130 - 132°C
• Hydrophobicity(logP): 1.92

Product Information

• Purity: 95%