9-methyl-9H-carbazole-3-sulfonyl chloride

• ChemBase ID: 259547
• Molecular Formular: C13H10ClNO2S
• Molecular Mass: 279.742
• Monoisotopic Mass: 279.01207725
• SMILES: S(=O)(=O)(c1cc2c(n(c3c2cccc3)C)cc1)Cl
• Canonical SMILES: Cn1c2ccc(cc2c2c1cccc2)S(=O)(=O)Cl
• InChI: InChI=1S/C13H10ClNO2S/c1-15-12-5-3-2-4-10(12)11-8-9(18(14,16)17)6-7-13(11)15/h2-8H,1H3
• InChIKey: HUGGWTFEJQFFBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12912752
• PubChem SID: 164315457
• PubChem CID: 16090517

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2608647
• LogD (pH = 7.4): 3.2608647
• Log P: 3.2608647
• Molar Refractivity: 72.5631 cm^3
• Polarizability: 30.808458 Å^3
• Polar Surface Area: 39.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 137 - 139°C
• Hydrophobicity(logP): 2.01

Product Information

• Purity: 95%