Thiophene-2-sulfonamide

The IUPAC name of 2-Thiophenesulfonamide is thiophene-2-sulfonamide. With the CAS registry number 6339-87-3, it is also named as Sulfamido-2 thiophene. The product's categories are Sulfonamide; Thiophene Intermediates. In addition, its molecular formula is C₄H₅NO₂S₂ and molecular weight is 163.22.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.94; (8)ACD/KOC (pH 7.4): 23.87; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 74 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 37.33 cm³; (15)Molar Volume: 107.8 cm³; (16)Polarizability: 14.79×10^-24cm³; (17)Surface Tension: 58.1 dyne/cm; (18)Density: 1.513 g/cm³; (19)Flash Point: 158.3 °C; (20)Melting Point: 146-148 °C; (21)Enthalpy of Vaporization: 58.15 kJ/mol; (22)Boiling Point: 338.1 °C at 760 mmHg; (23)Vapour Pressure: 0.0001 mmHg at 25 °C.

Preparation of 2-Thiophenesulfonamide: this chemical can be prepared by Thiophene-2-sulfonyl chloride.



This reaction needs NH₃, NaOAc and Ethanol. The reaction time is 24 hours. The yield is 67 %.

Uses of 2-Thiophenesulfonamide: it can react with Acetyl chloride to get N-Acetylthiophene-2-sulfonamide.



This reaction needs Acetic acid by heating for 30 min. The yield is 60 %.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(=O)(N)c1sccc1
(2)InChI: InChI=1/C4H5NO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)
(3)InChIKey: KTFDYVNEGTXQCV-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C4H5NO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)
(5)Std. InChIKey: KTFDYVNEGTXQCV-UHFFFAOYSA-N

The toxicity data is as follows: