Carbamicacid, N-[(4-aminophenyl)sulfonyl]-, methyl ester

The Asulam, with the CAS registry number 3337-71-1 and EINECS registry number 222-077-1, has the systematic name of methyl [(4-aminophenyl)sulfonyl]carbamate. And the molecular formula of this chemical is C₈H₁₀N₂O₄S. In addition, it is harmful if swallowed, and should be stored at 0-6°C.

The physical properties of Asulam are as following: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.02; (4)ACD/LogD (pH 7.4): -2.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.56; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 75.3 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 53.95 cm³; (15)Molar Volume: 162.2 cm³; (16)Polarizability: 21.38×10^-24cm³; (17)Surface Tension: 56.5 dyne/cm; (18)Density: 1.418 g/cm³.

Preparation of Asulam: It can be synthesized from 4-Aminobenzensulfonamide, which is reacted with methyl chloroformate in the presence of alkali binding agent with the temperature of 10-20°C in organic solvent. Then the Asulam is obtained by neutralizing with potassium carbonate in solvent acetone.

Uses of Asulam: It is a wild oat herbicide used in prairie regions for control of wild oats in cereal grains such as wheat. It is used to kill brackenand docks. In addition, it is also used as an antiviral agent.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(N)cc1)NC(=O)OC
(2)InChI: InChI=1/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)
(3)InChIKey: VGPYEHKOIGNJKV-UHFFFAOYAJ

The toxicity data is as follows: