5-sulfamoylthiophene-2-carboxamide

• ChemBase ID: 273466
• Molecular Formular: C5H6N2O3S2
• Molecular Mass: 206.24274
• Monoisotopic Mass: 205.98198406
• SMILES: S(=O)(=O)(c1sc(C(=O)N)cc1)N
• Canonical SMILES: NC(=O)c1ccc(s1)S(=O)(=O)N
• InChI: InChI=1S/C5H6N2O3S2/c6-5(8)3-1-2-4(11-3)12(7,9)10/h1-2H,(H2,6,8)(H2,7,9,10)
• InChIKey: CESCDUQYTCBDKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-sulfamoylthiophene-2-carboxamide
• IUPAC Traditional name: 5-sulfamoylthiophene-2-carboxamide
• Synonyms: 5-sulfamoylthiophene-2-carboxamide

Database IDs

• MDL Number: MFCD18785480
• PubChem SID: 164329376
• PubChem CID: 22902027

CALCULATED PROPERTIES

• Acid pKa: 8.559738
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.49154076
• LogD (pH = 7.4): -0.5168456
• Log P: -0.49120578
• Molar Refractivity: 43.3441 cm^3
• Polarizability: 17.387558 Å^3
• Polar Surface Area: 103.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 214 - 216°C
• Hydrophobicity(logP): -0.92

Product Information

• Purity: 95%