N,N-dimethyl-2,3-dihydro-1H-indole-6-sulfonamide

• ChemBase ID: 274082
• Molecular Formular: C10H14N2O2S
• Molecular Mass: 226.29536
• Monoisotopic Mass: 226.0775987
• SMILES: S(=O)(=O)(c1cc2NCCc2cc1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)c1ccc2c(c1)NCC2)C
• InChI: InChI=1S/C10H14N2O2S/c1-12(2)15(13,14)9-4-3-8-5-6-11-10(8)7-9/h3-4,7,11H,5-6H2,1-2H3
• InChIKey: SYWZKJPZQKSTHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2,3-dihydro-1H-indole-6-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-2,3-dihydro-1H-indole-6-sulfonamide
• Synonyms: N,N-dimethyl-2,3-dihydro-1H-indole-6-sulfonamide

Database IDs

• MDL Number: MFCD18914704
• PubChem SID: 164329992
• PubChem CID: 10376417

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5362467
• LogD (pH = 7.4): 0.5392568
• Log P: 0.5392954
• Molar Refractivity: 61.5127 cm^3
• Polarizability: 23.317461 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121 - 123°C
• Hydrophobicity(logP): 1.511

Product Information

• Purity: 95%