N-[2-(thiophen-2-yl)ethyl]ethane-1-sulfonamide

• ChemBase ID: 245733
• Molecular Formular: C8H13NO2S2
• Molecular Mass: 219.32432
• Monoisotopic Mass: 219.03877066
• SMILES: S(=O)(=O)(NCCc1sccc1)CC
• Canonical SMILES: CCS(=O)(=O)NCCc1cccs1
• InChI: InChI=1S/C8H13NO2S2/c1-2-13(10,11)9-6-5-8-4-3-7-12-8/h3-4,7,9H,2,5-6H2,1H3
• InChIKey: TYVYDUAPXBGGLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(thiophen-2-yl)ethyl]ethane-1-sulfonamide
• IUPAC Traditional name: N-[2-(thiophen-2-yl)ethyl]ethanesulfonamide
• Synonyms: N-[2-(thiophen-2-yl)ethyl]ethane-1-sulfonamide

Database IDs

• MDL Number: MFCD20358653
• PubChem SID: 164301643
• PubChem CID: 61362839

CALCULATED PROPERTIES

• Acid pKa: 11.515033
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1234391
• LogD (pH = 7.4): 1.1234099
• Log P: 1.1234394
• Molar Refractivity: 54.2039 cm^3
• Polarizability: 21.70544 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.404

Product Information

• Purity: 95%