N-(2-hydroxy-4-methylphenyl)thiophene-2-sulfonamide

• ChemBase ID: 241595
• Molecular Formular: C11H11NO3S2
• Molecular Mass: 269.33994
• Monoisotopic Mass: 269.01803522
• SMILES: S(=O)(=O)(c1sccc1)Nc1c(cc(cc1)C)O
• Canonical SMILES: Cc1ccc(c(c1)O)NS(=O)(=O)c1cccs1
• InChI: InChI=1S/C11H11NO3S2/c1-8-4-5-9(10(13)7-8)12-17(14,15)11-3-2-6-16-11/h2-7,12-13H,1H3
• InChIKey: BNBDCWAJVHQJBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12528799
• PubChem SID: 164297505
• PubChem CID: 43384582

CALCULATED PROPERTIES

• Acid pKa: 5.900224
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.1410012
• LogD (pH = 7.4): 2.4170716
• Log P: 3.267205
• Molar Refractivity: 66.178 cm^3
• Polarizability: 26.297583 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.326

Product Information

• Purity: 95%