4-methoxy-N,N,6-trimethyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide

• ChemBase ID: 223231
• Molecular Formular: C14H20N2O5S
• Molecular Mass: 328.384
• Monoisotopic Mass: 328.10929275
• SMILES: S(=O)(=O)(c1c2c(c(c3c1CCN(C3)C)OC)OCO2)N(C)C
• Canonical SMILES: COc1c2CN(C)CCc2c(c2c1OCO2)S(=O)(=O)N(C)C
• InChI: InChI=1S/C14H20N2O5S/c1-15(2)22(17,18)14-9-5-6-16(3)7-10(9)11(19-4)12-13(14)21-8-20-12/h5-8H2,1-4H3
• InChIKey: OTDAIRAYIKCAFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N,N,6-trimethyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide
• IUPAC Traditional name: 4-methoxy-N,N,6-trimethyl-2H,5H,7H,8H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide

Database IDs

• PubChem SID: 164279141
• PubChem CID: 49652074

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.064501144
• LogD (pH = 7.4): 0.4602668
• Log P: 0.4734762
• Molar Refractivity: 82.0917 cm^3
• Polarizability: 32.43904 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds