N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide

• ChemBase ID: 274659
• Molecular Formular: C10H14N2O2S
• Molecular Mass: 226.29536
• Monoisotopic Mass: 226.0775987
• SMILES: S(=O)(=O)(c1cc2c(cc1)CNC2)N(C)C
• Canonical SMILES: CN(S(=O)(=O)c1ccc2c(c1)CNC2)C
• InChI: InChI=1S/C10H14N2O2S/c1-12(2)15(13,14)10-4-3-8-6-11-7-9(8)5-10/h3-5,11H,6-7H2,1-2H3
• InChIKey: MQJABNPBKCFCGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide
• Synonyms: N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide

Database IDs

• MDL Number: MFCD18838932
• PubChem SID: 164330569
• PubChem CID: 54593308

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5278888
• LogD (pH = 7.4): -0.885717
• Log P: 0.33620486
• Molar Refractivity: 59.8119 cm^3
• Polarizability: 23.761753 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.231

Product Information

• Purity: 95%