N-[4-(hydrazinecarbonyl)phenyl]thiophene-2-sulfonamide

• ChemBase ID: 230481
• Molecular Formular: C11H11N3O3S2
• Molecular Mass: 297.35334
• Monoisotopic Mass: 297.02418323
• SMILES: S(=O)(=O)(c1sccc1)Nc1ccc(C(=O)NN)cc1
• Canonical SMILES: NNC(=O)c1ccc(cc1)NS(=O)(=O)c1cccs1
• InChI: InChI=1S/C11H11N3O3S2/c12-13-11(15)8-3-5-9(6-4-8)14-19(16,17)10-2-1-7-18-10/h1-7,14H,12H2,(H,13,15)
• InChIKey: IMDFFNNRTOOCFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(hydrazinecarbonyl)phenyl]thiophene-2-sulfonamide
• IUPAC Traditional name: N-[4-(hydrazinecarbonyl)phenyl]thiophene-2-sulfonamide
• Synonyms: Thiophene-2-sulfonic acid (4-hydrazinocarbonyl-phenyl)-amide

Database IDs

• MDL Number: MFCD03150635
• PubChem SID: 164286391
• PubChem CID: 2341886

CALCULATED PROPERTIES

• Acid pKa: 6.136832
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.8816411
• LogD (pH = 7.4): 0.16521972
• Log P: 0.96151364
• Molar Refractivity: 72.7184 cm^3
• Polarizability: 28.229448 Å^3
• Polar Surface Area: 101.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 248 - 250°C
• Hydrophobicity(logP): 0.701

Product Information

• Purity: 95%