cycloheptanesulfonyl chloride

• ChemBase ID: 285844
• Molecular Formular: C7H13ClO2S
• Molecular Mass: 196.69492
• Monoisotopic Mass: 196.03247834
• SMILES: S(=O)(=O)(C1CCCCCC1)Cl
• Canonical SMILES: ClS(=O)(=O)C1CCCCCC1
• InChI: InChI=1S/C7H13ClO2S/c8-11(9,10)7-5-3-1-2-4-6-7/h7H,1-6H2
• InChIKey: WBIOWMBUZYUUIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cycloheptanesulfonyl chloride
• IUPAC Traditional name: cycloheptanesulfonyl chloride
• Synonyms: cycloheptanesulfonyl chloride

Database IDs

• MDL Number: MFCD10000589
• PubChem SID: 180671375
• PubChem CID: 20225506

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3532405
• LogD (pH = 7.4): 2.3532405
• Log P: 2.3532405
• Molar Refractivity: 45.966 cm^3
• Polarizability: 19.021725 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.257

Product Information

• Purity: 95%