9H-carbazole-3-sulfonamide

• ChemBase ID: 285454
• Molecular Formular: C12H10N2O2S
• Molecular Mass: 246.285
• Monoisotopic Mass: 246.04629857
• SMILES: S(=O)(=O)(c1cc2c([nH]c3c2cccc3)cc1)N
• Canonical SMILES: NS(=O)(=O)c1ccc2c(c1)c1ccccc1[nH]2
• InChI: InChI=1S/C12H10N2O2S/c13-17(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H,(H2,13,15,16)
• InChIKey: OBQSIVXLXFZKTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-carbazole-3-sulfonamide
• IUPAC Traditional name: 9H-carbazole-3-sulfonamide
• Synonyms: 9H-carbazole-3-sulfonamide

Database IDs

• MDL Number: MFCD19016472
• PubChem SID: 180670985
• PubChem CID: 63841147

CALCULATED PROPERTIES

• Acid pKa: 10.16573
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6969081
• LogD (pH = 7.4): 1.6962572
• Log P: 1.6969165
• Molar Refractivity: 65.6301 cm^3
• Polarizability: 28.329266 Å^3
• Polar Surface Area: 75.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.889

Product Information

• Purity: 95%