4-METHOXYBENZENESULFONAMIDE

The IUPAC name of 4-Methoxybenzenesulfonamide is 4-methoxybenzenesulfonamide. With the CAS registry number 1129-26-6, it is also named as Benzenesulfonamide, 4-methoxy-. The product's categories are sulfonamide, organic building blocks, sulfonamides/sulfinamides and sulfur compounds. Moreover, it is crystalline powder, which should be stored in cool and dry place. You should keep container tightly sealed and ensure that the workplace have good ventilation or exhaust. In addition, its molecular formula is C₇H₉NO₃S and molecular weight is 187.22.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.47; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 1.34; (6)ACD/BCF (pH 7.4): 1.34; (7)ACD/KOC (pH 5.5): 42.92; (8)ACD/KOC (pH 7.4): 42.86; (9)H bond acceptors: 4; (10)H bond donors: 2; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.99 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 45.55 cm³; (15)Molar Volume: 142.3 cm³; (16)Polarizability: 18.05×10^-24cm³; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.314 g/cm³; (19)Flash Point: 166.8 °C; (20)Melting Point: 111-115 °C; (21)Enthalpy of Vaporization: 59.7 kJ/mol; (22)Boiling Point: 352.2 °C at 760 mmHg; (23)Vapour Pressure: 3.89E-05 mmHg at 25 °C.

Preparation of 4-Methoxybenzenesulfonamide: this chemical can be prepared by N-(4-Methoxy-benzolsulfonyl)-dimethylsulfimin.



This reaction needs water to heating. The reaction time is 1 hour. The yield is 72 %.

Uses of 4-Methoxybenzenesulfonamide: it can reacts with 4-Methoxy-benzaldehyde diethylacetal to get 4-Methoxy-N-(4-methoxy-benzylidene)-benzenesulfonamide.



This reaction will occur at temperature of 150 - 180 °C for 0.5 hour. The yield is 80 % .

When you are using this chemical, please be cautious about it as the following: please do not breathe dust and avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
SMILES:O=S(=O)(c1ccc(OC)cc1)N
InChI:InChI=1/C7H9NO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKey:MSFQEZBRFPAFEX-UHFFFAOYAL
Std. InChI:InChI=1S/C7H9NO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
Std. InChIKey:MSFQEZBRFPAFEX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	> 1gm/kg (1000mg/kg)		Journal of Medicinal Chemistry. Vol. 8, Pg. 548, 1965.