1H-indole-5-sulfonyl chloride

• ChemBase ID: 237498
• Molecular Formular: C8H6ClNO2S
• Molecular Mass: 215.65674
• Monoisotopic Mass: 214.98077712
• SMILES: S(=O)(=O)(c1cc2c([nH]cc2)cc1)Cl
• Canonical SMILES: ClS(=O)(=O)c1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C8H6ClNO2S/c9-13(11,12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
• InChIKey: MZGMZFOGQIBZLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indole-5-sulfonyl chloride
• IUPAC Traditional name: 1H-indole-5-sulfonyl chloride
• Synonyms: 1H-indole-5-sulfonyl chloride

Database IDs

• MDL Number: MFCD19200539
• PubChem SID: 164293408
• PubChem CID: 20622969

CALCULATED PROPERTIES

• Acid pKa: 15.318596
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0183108
• LogD (pH = 7.4): 2.0183108
• Log P: 2.0183108
• Molar Refractivity: 51.3387 cm^3
• Polarizability: 21.556778 Å^3
• Polar Surface Area: 49.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.16

Product Information

• Purity: 95%