9H-carbazole-3-sulfonyl chloride

• ChemBase ID: 285453
• Molecular Formular: C12H8ClNO2S
• Molecular Mass: 265.71542
• Monoisotopic Mass: 264.99642718
• SMILES: S(=O)(=O)(c1cc2c([nH]c3c2cccc3)cc1)Cl
• Canonical SMILES: ClS(=O)(=O)c1ccc2c(c1)c1ccccc1[nH]2
• InChI: InChI=1S/C12H8ClNO2S/c13-17(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H
• InChIKey: YZPNVCJKKPZEIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-carbazole-3-sulfonyl chloride
• IUPAC Traditional name: 9H-carbazole-3-sulfonyl chloride
• Synonyms: 9H-carbazole-3-sulfonyl chloride

Database IDs

• MDL Number: MFCD09808852
• PubChem SID: 180670984
• PubChem CID: 13828048

CALCULATED PROPERTIES

• Acid pKa: 14.103514
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0371888
• LogD (pH = 7.4): 3.0371885
• Log P: 3.0371888
• Molar Refractivity: 67.6664 cm^3
• Polarizability: 29.045816 Å^3
• Polar Surface Area: 49.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.544

Product Information

• Purity: 95%