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25006-65-9

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Basic Information
CAS No.: 25006-65-9
Name: N-[4-(4-NITRO-2-SULFAMOYL-BENZENESULFONYL)-PHENYL]-ACETAMIDE
Molecular Structure:
Molecular Structure of 25006-65-9 (N-[4-(4-NITRO-2-SULFAMOYL-BENZENESULFONYL)-PHENYL]-ACETAMIDE)
Formula: C14H13N3O7S2
Molecular Weight: 399.405
Synonyms: Acetanilide,4'-[(4-nitro-2-sulfamoylphenyl)sulfonyl]- (8CI);N-[4-(4-Nitro-2-sulfamoylphenyl)sulfonylphenyl]acetamide;
Density: 1.587 g/cm3
PSA: 185.98000
LogP: 4.49150
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Specification

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