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Name |
Acetamide,N-[4-(aminosulfonyl)phenyl]-2-chloro- |
EINECS | N/A |
CAS No. | 14949-01-0 | Density | 1.527 g/cm3 |
PSA | 97.64000 | LogP | 2.36540 |
Solubility | N/A | Melting Point |
217 °C |
Formula | C8H9ClN2O3S | Boiling Point | N/A |
Molecular Weight | 248.69 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acetanilide,2-chloro-4'-sulfamoyl- (6CI,7CI,8CI);N-[4-(Aminosulfonyl)phenyl]-2-chloroacetamide;N4-Chloracetylsulfanilamide;NSC525660;2-Chloro-N-(4-sulfamoylphenyl)acetamide;AC1L704K;MolPort-000-225-321;CID352299;STK325976;ZINC00127420;2-Chloro-N-(sulfamoylphenyl)acetamide;AKOS000266814; |
Article Data | 52 |
The Acetamide,N-[4-(aminosulfonyl)phenyl]-2-chloro- with CAS registry number of 14949-01-0 is also known as N-[4-(Aminosulfonyl)phenyl]-2-chloroacetamide. The IUPAC name is 2-Chloro-N-(4-sulfamoylphenyl)acetamide. In addition, the formula is C8H9ClN2O3S and the molecular weight is 248.69.
Physical properties about this chemical are: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.55; (4)ACD/LogD (pH 7.4): 0.55; (5)ACD/BCF (pH 5.5): 1.53; (6)ACD/BCF (pH 7.4): 1.53; (7)ACD/KOC (pH 5.5): 47.25; (8)ACD/KOC (pH 7.4): 47.12; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.07Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 57.04 cm3; (15)Molar Volume: 162.8 cm3; (16)Polarizability: 22.61×10-24cm3; (17)Surface Tension: 65.7 dyne/cm; (18)Density: 1.527 g/cm3.
Preparation of Acetamide,N-[4-(aminosulfonyl)phenyl]-2-chloro-: it is prepared by reaction of 4-Amino-benzenesulfonamide with Chloroacetyl chloride. The reaction needs reagent Dioxane benzene for 1 hour. The yield is about 80%.
Uses of Acetamide,N-[4-(aminosulfonyl)phenyl]-2-chloro-: it is used to produce 2-Benzylamino-benzoic acid (4-sulfamoyl-phenylcarbamoyl)-methyl ester. The reaction occurs with reagent Dimethylformamide and other condition of heating for 2 hours. The yield is 61%.
You can still convert the following datas into molecular structure:
1. SMILES: O=S(=O)(N)c1ccc(NC(=O)CCl)cc1
2. InChI: InChI=1/C8H9ClN2O3S/c9-5-8(12)11-6-1-3-7(4-2-6)15(10,13)14/h1-4H,5H2,(H,11,12)(H2,10,13,14)
3. InChIKey: WBDDNKFSVVIFOG-UHFFFAOYAT
4. Std. InChI: InChI=1S/C8H9ClN2O3S/c9-5-8(12)11-6-1-3-7(4-2-6)15(10,13)14/h1-4H,5H2,(H,11,12)(H2,10,13,14)
5. Std. InChIKey: WBDDNKFSVVIFOG-UHFFFAOYSA-N