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CAS No.: | 41472-49-5 |
---|---|
Name: | N-(P-SULFAMOYLPHENETHYL)ACETAMIDE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C10H14N2O3S |
Molecular Weight: | 242.299 |
Synonyms: | Acetamide,N-p-sulfamoylphenethyl- (6CI);4-(2-Acetylaminoethyl)benzenesulfonamide; |
EINECS: | 255-386-5 |
Density: | 1.274 g/cm3 |
Melting Point: | 168-174 °C |
Boiling Point: | 387.4°C at 760 mmHg |
Flash Point: | 188.1°C |
Appearance: | White powder |
Hazard Symbols: | C |
Risk Codes: | R34 |
PSA: | 97.64000 |
LogP: | 2.18460 |
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The systematic name of this chemical is N-(2-(4-(Aminosulphonyl)phenyl)ethyl)acetamide. With the CAS registry number 41472-49-5 and EINECS 255-386-5, it is also named as acetamide, N-[2-[4-(aminosulfonyl)phenyl]ethyl]-. And the molecular formula of this chemical is C10H14N2O3S.
The physical properties of N-(2-(4-(Aminosulphonyl)phenyl)ethyl)acetamide are as following: (1)ACD/LogP: -0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 9.09; (6)ACD/KOC (pH 7.4): 9.07; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 66.07 Å2; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 61.47 cm3; (13)Molar Volume: 190.1 cm3; (14)Polarizability: 24.37×10-24cm3; (15)Surface Tension: 49.7 dyne/cm; (16)Density: 1.274 g/cm3.
Uses of N-(2-(4-(Aminosulphonyl)phenyl)ethyl)acetamide: It can react with isocyanatocyclohexane to produce C17H25N3O4S. This reaction will need reagent K2CO3, and the solvent acetone. The reaction time is 1.5 hours with temperature of 56°C, and the yield is about 45%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)CCNC(=O)C)N
(2)InChI: InChI=1/C10H14N2O3S/c1-8(13)12-7-6-9-2-4-10(5-3-9)16(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)(H2,11,14,15)
(3)InChIKey: IIMGUEXQORZTID-UHFFFAOYAC