cyclohex-3-ene-1-sulfonamide

• ChemBase ID: 243822
• Molecular Formular: C6H11NO2S
• Molecular Mass: 161.22204
• Monoisotopic Mass: 161.0510496
• SMILES: S(=O)(=O)(C1CC=CCC1)N
• Canonical SMILES: NS(=O)(=O)C1CCC=CC1
• InChI: InChI=1S/C6H11NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H2,7,8,9)
• InChIKey: RFLIVPBDPCREEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohex-3-ene-1-sulfonamide
• IUPAC Traditional name: cyclohex-3-ene-1-sulfonamide
• Synonyms: cyclohex-3-ene-1-sulfonamide

Database IDs

• MDL Number: MFCD22628383
• PubChem SID: 164299732
• PubChem CID: 71757353

CALCULATED PROPERTIES

• Acid pKa: 11.3245735
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.20647722
• LogD (pH = 7.4): 0.20643203
• Log P: 0.20647779
• Molar Refractivity: 40.4453 cm^3
• Polarizability: 16.156979 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.053

Product Information

• Purity: 95%