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Name |
Acetamide,N-[4-[[2-(aminosulfonyl)-4-nitrophenyl]sulfonyl]phenyl]- |
EINECS | N/A |
CAS No. | 25006-65-9 | Density | 1.587 g/cm3 |
PSA | 185.98000 | LogP | 4.49150 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H13N3O7S2 | Boiling Point | N/A |
Molecular Weight | 399.405 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acetanilide,4'-[(4-nitro-2-sulfamoylphenyl)sulfonyl]- (8CI);N-[4-(4-Nitro-2-sulfamoylphenyl)sulfonylphenyl]acetamide; |
The Acetamide,N-[4-[[2-(aminosulfonyl)-4-nitrophenyl]sulfonyl]phenyl]- is an organic compound with the formula C14H13N3O7S2. The IUPAC name of this chemical is N-[4-(4-Nitro-2-sulfamoylphenyl)sulfonylphenyl]acetamide. The CAS registry number of this chemical is 25006-65-9. Besides, its molecular weight is 399.40.
The physical properties of Acetamide,N-[4-[[2-(aminosulfonyl)-4-nitrophenyl]sulfonyl]phenyl]- are: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.593; (4)ACD/LogD (pH 7.4): 0.573; (5)ACD/BCF (pH 5.5): 1.662; (6)ACD/BCF (pH 7.4): 1.588; (7)ACD/KOC (pH 5.5): 50.062; (8)ACD/KOC (pH 7.4): 47.833; (9)#H bond acceptors: 10; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 185.98 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 91.774 cm3; (15)Molar Volume: 251.668 cm3; (16)Polarizability: 36.382×10-24 cm3; (17)Surface Tension: 72.19 dyne/cm; (18)Density: 1.587 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2S(=O)(=O)N)[N+](=O)[O-]
(2)InChI: InChI=1/C14H13N3O7S2/c1-9(18)16-10-2-5-12(6-3-10)25(21,22)13-7-4-11(17(19)20)8-14(13)26(15,23)24/h2-8H,1H3,(H,16,18)(H2,15,23,24)
(3)InChIKey: RRYXROFGJIJXCP-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C14H13N3O7S2/c1-9(18)16-10-2-5-12(6-3-10)25(21,22)13-7-4-11(17(19)20)8-14(13)26(15,23)24/h2-8H,1H3,(H,16,18)(H2,15,23,24)
(5)Std. InChIKey: RRYXROFGJIJXCP-UHFFFAOYSA-N