3-methoxythiophene-2-sulfonamide

• ChemBase ID: 236601
• Molecular Formular: C5H7NO3S2
• Molecular Mass: 193.24398
• Monoisotopic Mass: 192.98673509
• SMILES: c1(S(=O)(=O)N)c(ccs1)OC
• Canonical SMILES: COc1ccsc1S(=O)(=O)N
• InChI: InChI=1S/C5H7NO3S2/c1-9-4-2-3-10-5(4)11(6,7)8/h2-3H,1H3,(H2,6,7,8)
• InChIKey: DGRQYAZHUZLDRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxythiophene-2-sulfonamide
• IUPAC Traditional name: 3-methoxythiophene-2-sulfonamide
• Synonyms: 3-methoxythiophene-2-sulfonamide

Database IDs

• MDL Number: MFCD22375223
• PubChem SID: 164292511
• PubChem CID: 68465141

CALCULATED PROPERTIES

• Acid pKa: 8.604351
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.36774078
• LogD (pH = 7.4): 0.3448107
• Log P: 0.36804324
• Molar Refractivity: 40.9448 cm^3
• Polarizability: 16.971075 Å^3
• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.153

Product Information

• Purity: 95%