N-(5-amino-2-fluorophenyl)thiophene-2-sulfonamide

• ChemBase ID: 258291
• Molecular Formular: C10H9FN2O2S2
• Molecular Mass: 272.3190632
• Monoisotopic Mass: 272.00894776
• SMILES: S(=O)(=O)(c1sccc1)Nc1cc(N)ccc1F
• Canonical SMILES: Nc1ccc(c(c1)NS(=O)(=O)c1cccs1)F
• InChI: InChI=1S/C10H9FN2O2S2/c11-8-4-3-7(12)6-9(8)13-17(14,15)10-2-1-5-16-10/h1-6,13H,12H2
• InChIKey: BKHWZDHSQKLCBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-fluorophenyl)thiophene-2-sulfonamide
• IUPAC Traditional name: N-(5-amino-2-fluorophenyl)thiophene-2-sulfonamide
• Synonyms: N-(5-amino-2-fluorophenyl)thiophene-2-sulfonamide

Database IDs

• MDL Number: MFCD09045726
• PubChem SID: 164314201
• PubChem CID: 16773380

CALCULATED PROPERTIES

• Acid pKa: 7.3552155
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.710273
• LogD (pH = 7.4): 1.4487785
• Log P: 1.721125
• Molar Refractivity: 64.0727 cm^3
• Polarizability: 24.814838 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 1.241

Product Information

• Purity: 95%