1-acetyl-6-chloro-2,3-dihydro-1H-indole-5-sulfonamide

• ChemBase ID: 286159
• Molecular Formular: C10H11ClN2O3S
• Molecular Mass: 274.72394
• Monoisotopic Mass: 274.0178909
• SMILES: S(=O)(=O)(c1c(cc2N(C(=O)C)CCc2c1)Cl)N
• Canonical SMILES: CC(=O)N1CCc2c1cc(Cl)c(c2)S(=O)(=O)N
• InChI: InChI=1S/C10H11ClN2O3S/c1-6(14)13-3-2-7-4-10(17(12,15)16)8(11)5-9(7)13/h4-5H,2-3H2,1H3,(H2,12,15,16)
• InChIKey: QXUJQVVWHWHROT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-acetyl-6-chloro-2,3-dihydro-1H-indole-5-sulfonamide
• IUPAC Traditional name: 1-acetyl-6-chloro-2,3-dihydroindole-5-sulfonamide
• Synonyms: 1-acetyl-6-chloro-2,3-dihydro-1H-indole-5-sulfonamide

Database IDs

• MDL Number: MFCD21602728
• PubChem SID: 180671690
• PubChem CID: 12475070

CALCULATED PROPERTIES

• Acid pKa: 9.138454
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.32489777
• LogD (pH = 7.4): 0.31803024
• Log P: 0.3249862
• Molar Refractivity: 64.3092 cm^3
• Polarizability: 25.459185 Å^3
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.184

Product Information

• Purity: 95%