N-(4-methoxyphenyl)thiophene-2-sulfonamide

• ChemBase ID: 250967
• Molecular Formular: C11H11NO3S2
• Molecular Mass: 269.33994
• Monoisotopic Mass: 269.01803522
• SMILES: S(=O)(=O)(c1sccc1)Nc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)NS(=O)(=O)c1cccs1
• InChI: InChI=1S/C11H11NO3S2/c1-15-10-6-4-9(5-7-10)12-17(13,14)11-3-2-8-16-11/h2-8,12H,1H3
• InChIKey: KZIMIWWLYIDNIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)thiophene-2-sulfonamide
• IUPAC Traditional name: N-(4-methoxyphenyl)thiophene-2-sulfonamide
• Synonyms: N-(4-methoxyphenyl)thiophene-2-sulfonamide

Database IDs

• MDL Number: MFCD01159690
• PubChem SID: 164306877
• PubChem CID: 2263575

CALCULATED PROPERTIES

• Acid pKa: 6.3925877
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2036421
• LogD (pH = 7.4): 1.5360004
• Log P: 2.2496777
• Molar Refractivity: 65.6191 cm^3
• Polarizability: 26.438305 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120 - 122°C
• Hydrophobicity(logP): 2.455

Product Information

• Purity: 95%