N-phenyl-2,3-dihydro-1H-indole-5-sulfonamide

• ChemBase ID: 59148
• Molecular Formular: C14H14N2O2S
• Molecular Mass: 274.33816
• Monoisotopic Mass: 274.0775987
• SMILES: c1(ccc2c(c1)CCN2)S(=O)(=O)Nc1ccccc1
• Canonical SMILES: O=S(=O)(c1ccc2c(c1)CCN2)Nc1ccccc1
• InChI: InChI=1S/C14H14N2O2S/c17-19(18,16-12-4-2-1-3-5-12)13-6-7-14-11(10-13)8-9-15-14/h1-7,10,15-16H,8-9H2
• InChIKey: BBVBRPHQRCHBEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-2,3-dihydro-1H-indole-5-sulfonamide
• IUPAC Traditional name: N-phenyl-2,3-dihydro-1H-indole-5-sulfonamide
• Synonyms: N-Phenylindoline-5-sulfonamide

Database IDs

• MDL Number: MFCD10688720
• PubChem SID: 162063911
• PubChem CID: 43119852

CALCULATED PROPERTIES

• Acid pKa: 8.439705
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9723173
• LogD (pH = 7.4): 1.9401327
• Log P: 1.9735777
• Molar Refractivity: 76.3936 cm^3
• Polarizability: 29.202152 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false