Benzamide,N-[2-[4-(aminosulfonyl)phenyl]ethyl]-5-chloro-2-methoxy- (16673-34-0)

The 4-(2-(5-Chloro-2-methoxybenzamido)ethyl)benzenesulfamide with the CAS number 16673-34-0 is also called Benzamide,N-[2-[4-(aminosulfonyl)phenyl]ethyl]-5-chloro-2-methoxy-. Both the systematic name  and IUPAC name are 5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide. Its molecular formula is C₁₆H₁₇ClN₂O₄S. The EINECS registry number is 240-722-5. This chemical belongs to the following product categories: (1)Organic Building Blocks; (2)Sulfonamides/Sulfinamides; (3)Sulfur Compounds.

The properties of the 4-(2-(5-Chloro-2-methoxybenzamido)ethyl)benzenesulfamide are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.26; (6)ACD/BCF (pH 7.4): 12.24; (7)ACD/KOC (pH 5.5): 209.3; (8)ACD/KOC (pH 7.4): 208.92; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 75.3 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 92.75 cm³; (15)Molar Volume: 271.8 cm³; (16)Polarizability: 36.76×10^-24cm³; (17)Surface Tension: 53.2 dyne/cm.

Preparation: This chemical can be prepared by the reaction of 5-chloro-2-methoxybenzoyl chloride and 4-(2-amino-ethyl)-benzenesulfonic acid amide. This reaction needs reagent pyridine. The reaction time is 16 hours. The yield is 59.8%.

While using this chemical, you should be very cautious. This chemical is toxic by inhalation, in contact with skin and if swallowed. Therefore, you should take the following instructions. Firstly, you should avoid this chemical contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(OC)cc1)C(=O)NCCc2ccc(cc2)S(=O)(=O)N
(2)InChI: InChI=1/C16H17ClN2O4S/c1-23-15-7-4-12(17)10-14(15)16(20)19-9-8-11-2-5-13(6-3-11)24(18,21)22/h2-7,10H,8-9H2,1H3,(H,19,20)(H2,18,21,22)
(3)InChIKey: KVWWTCSJLGHLRM-UHFFFAOYAY