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4-(2-(5-Chloro-2-methoxybenzamido)ethyl)benzenesulfamide

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Name

4-(2-(5-Chloro-2-methoxybenzamido)ethyl)benzenesulfamide

EINECS 240-722-5
CAS No. 16673-34-0 Density 1.357 g/cm3
PSA 106.87000 LogP 4.14050
Solubility N/A Melting Point 209-214 °C
Formula C16H17ClN2O4S Boiling Point N/A
Molecular Weight 368.841 Flash Point N/A
Transport Information N/A Appearance Light yellow solid
Safety 24/25 Risk Codes 23/24/25
Molecular Structure Molecular Structure of 16673-34-0 (4-(2-(5-Chloro-2-methoxybenzamido)ethyl)benzenesulfamide) Hazard Symbols ToxicT
Synonyms

o-Anisamide,5-chloro-N-(p-sulfamoylphenethyl)- (8CI);4-[2-(2-Methoxy-5-chlorobenzene-1-carboxamido)ethyl]benzenesulfonamide;

Article Data 16

4-(2-(5-Chloro-2-methoxybenzamido)ethyl)benzenesulfamide Specification

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

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