N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide

• ChemBase ID: 265681
• Molecular Formular: C7H10N2O3S2
• Molecular Mass: 234.2959
• Monoisotopic Mass: 234.01328419
• SMILES: S(=O)(=O)(c1sc(cc1)CNC(=O)C)N
• Canonical SMILES: CC(=O)NCc1ccc(s1)S(=O)(=O)N
• InChI: InChI=1S/C7H10N2O3S2/c1-5(10)9-4-6-2-3-7(13-6)14(8,11)12/h2-3H,4H2,1H3,(H,9,10)(H2,8,11,12)
• InChIKey: QFFRRRHCTJPLLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
• IUPAC Traditional name: N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
• Synonyms: N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide

Database IDs

• MDL Number: MFCD09739602
• PubChem SID: 164321591
• PubChem CID: 16792798

CALCULATED PROPERTIES

• Acid pKa: 8.795974
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.39742568
• LogD (pH = 7.4): -0.41235465
• Log P: -0.39723104
• Molar Refractivity: 52.1829 cm^3
• Polarizability: 21.18479 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121 - 123°C
• Hydrophobicity(logP): -1.013

Product Information

• Purity: 95%