N-[2-(hydrazinecarbonyl)phenyl]thiophene-2-sulfonamide

• ChemBase ID: 230522
• Molecular Formular: C11H11N3O3S2
• Molecular Mass: 297.35334
• Monoisotopic Mass: 297.02418323
• SMILES: S(=O)(=O)(c1sccc1)Nc1c(C(=O)NN)cccc1
• Canonical SMILES: NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1
• InChI: InChI=1S/C11H11N3O3S2/c12-13-11(15)8-4-1-2-5-9(8)14-19(16,17)10-6-3-7-18-10/h1-7,14H,12H2,(H,13,15)
• InChIKey: RVIPJODBXNVCTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(hydrazinecarbonyl)phenyl]thiophene-2-sulfonamide
• IUPAC Traditional name: N-[2-(hydrazinecarbonyl)phenyl]thiophene-2-sulfonamide
• Synonyms: Thiophene-2-sulfonic acid (2-hydrazinocarbonyl-phenyl)-amide

Database IDs

• MDL Number: MFCD03147338
• PubChem SID: 164286432
• PubChem CID: 2374287

CALCULATED PROPERTIES

• Acid pKa: 5.8718414
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.8278568
• LogD (pH = 7.4): 0.106181525
• Log P: 0.96151364
• Molar Refractivity: 72.7184 cm^3
• Polarizability: 28.231455 Å^3
• Polar Surface Area: 101.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.331

Product Information

• Purity: 95%