N-(2-aminophenyl)thiophene-2-sulfonamide

• ChemBase ID: 229449
• Molecular Formular: C10H10N2O2S2
• Molecular Mass: 254.3286
• Monoisotopic Mass: 254.01836957
• SMILES: S(=O)(=O)(c1sccc1)Nc1c(N)cccc1
• Canonical SMILES: Nc1ccccc1NS(=O)(=O)c1cccs1
• InChI: InChI=1S/C10H10N2O2S2/c11-8-4-1-2-5-9(8)12-16(13,14)10-6-3-7-15-10/h1-7,12H,11H2
• InChIKey: KKBCMONERKOXFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminophenyl)thiophene-2-sulfonamide
• IUPAC Traditional name: N-(2-aminophenyl)thiophene-2-sulfonamide
• Synonyms: Thiophene-2-sulfonic acid (2-amino-phenyl)-amide

Database IDs

• MDL Number: MFCD02699247
• PubChem SID: 164285359
• PubChem CID: 2310676

CALCULATED PROPERTIES

• Acid pKa: 6.207226
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5070822
• LogD (pH = 7.4): 0.80210245
• Log P: 1.578423
• Molar Refractivity: 63.8563 cm^3
• Polarizability: 25.054152 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 206 - 208°C
• Hydrophobicity(logP): 1.267

Product Information

• Purity: 95%