N,N-diethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

• ChemBase ID: 28581
• Molecular Formular: C13H20N2O2S
• Molecular Mass: 268.3751
• Monoisotopic Mass: 268.12454889
• SMILES: S(=O)(=O)(c1cc2c(NCCC2)cc1)N(CC)CC
• Canonical SMILES: CCN(S(=O)(=O)c1ccc2c(c1)CCCN2)CC
• InChI: InChI=1S/C13H20N2O2S/c1-3-15(4-2)18(16,17)12-7-8-13-11(10-12)6-5-9-14-13/h7-8,10,14H,3-6,9H2,1-2H3
• InChIKey: AZAWSEXGTCHBKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
• IUPAC Traditional name: N,N-diethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
• Synonyms: N,N-Diethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

Database IDs

• MDL Number: MFCD07687072
• PubChem SID: 160991888
• PubChem CID: 221217

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6956412
• LogD (pH = 7.4): 1.6974567
• Log P: 1.69748
• Molar Refractivity: 75.6109 cm^3
• Polarizability: 28.82694 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131 - 133°C
• Hydrophobicity(logP): 2.978

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%