N-MONOACETYL-4,4'-DIAMINODIPHENYL SULFONE

The Acetamide,N-[4-[(4-aminophenyl)sulfonyl]phenyl]-, with the CAS registry number 565-20-8, is also known as 4-Acetylamino-4'-aminodiphenylsulfone. It belongs to the product categories of Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. This chemical's molecular formula is C₁₄H₁₄N₂O₃S and molecular weight is 290.34. What's more, its systematic name is N-[4-(4-aminophenyl)sulfonylphenyl]acetamide. Its classification code are: (1)Anti-infective agents; (2)Drug / Therapeutic Agent. Its storage temperature is 2 - 8°C.

Physical properties of Acetamide,N-[4-[(4-aminophenyl)sulfonyl]phenyl]- are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 5.1; (6)ACD/BCF (pH 7.4): 5.1; (7)ACD/KOC (pH 5.5): 111.78; (8)ACD/KOC (pH 7.4): 111.79; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.07 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 76.91 cm³; (15)Molar Volume: 213.1 cm³; (16)Polarizability: 30.49×10^-24cm³; (17)Surface Tension: 61.4 dyne/cm; (18)Density: 1.362 g/cm³; (19)Flash Point: 310.3 °C; (20)Enthalpy of Vaporization: 87.97 kJ/mol; (21)Boiling Point: 589.5 °C at 760 mmHg; (22)Vapour Pressure: 7.12E-14 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid-[4-(4-nitro-benzenesulfonyl)-anilide] at the ambient temperature. This reaction will need reagent H₂ and solvent methanol with the reaction time of 4 hours. This reaction will also need catalyst 10% Pd/C. The yield is about 61%.

Uses of Acetamide,N-[4-[(4-aminophenyl)sulfonyl]phenyl]-: it can be used to produce (4-ethylamino-phenyl)-(4-amino-phenyl)-sulfone by heating. It will need reagent LiAlH₄ and solvent tetrahydrofuran with the reaction time of 15 hours. The yield is about 50%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to respiratory system and skin. It has the risk of serious damage to eyes. It may cause sensitisation by skin contactIn case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N
(2)InChI: InChI=1S/C14H14N2O3S/c1-10(17)16-12-4-8-14(9-5-12)20(18,19)13-6-2-11(15)3-7-13/h2-9H,15H2,1H3,(H,16,17)
(3)InChIKey: WDOCBIHNYYQINH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	10gm/kg (10000mg/kg)		Therapie. Vol. 6, Pg. 251, 1951.