N-propylthiophene-2-sulfonamide

• ChemBase ID: 250964
• Molecular Formular: C7H11NO2S2
• Molecular Mass: 205.29774
• Monoisotopic Mass: 205.0231206
• SMILES: S(=O)(=O)(c1sccc1)NCCC
• Canonical SMILES: CCCNS(=O)(=O)c1cccs1
• InChI: InChI=1S/C7H11NO2S2/c1-2-5-8-12(9,10)7-4-3-6-11-7/h3-4,6,8H,2,5H2,1H3
• InChIKey: JAJRCJQNSXPWHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-propylthiophene-2-sulfonamide
• IUPAC Traditional name: N-propylthiophene-2-sulfonamide
• Synonyms: N-propylthiophene-2-sulfonamide

Database IDs

• MDL Number: MFCD04639643
• PubChem SID: 164306874
• PubChem CID: 2423669

CALCULATED PROPERTIES

• Acid pKa: 8.799572
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.628528
• LogD (pH = 7.4): 1.6137195
• Log P: 1.6287209
• Molar Refractivity: 48.6509 cm^3
• Polarizability: 19.872477 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.893

Product Information

• Purity: 95%