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5317-94-2

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Basic Information
CAS No.: 5317-94-2
Name: N-(4-ACETYL-PHENYL)-4-METHYL-BENZENESULFONAMIDE
Article Data: 35
Molecular Structure:
Molecular Structure of 5317-94-2 (N-(4-ACETYL-PHENYL)-4-METHYL-BENZENESULFONAMIDE)
Formula: C15H15NO3S
Molecular Weight: 289.355
Synonyms: p-Toluenesulfonanilide,4'-acetyl- (7CI,8CI);4'-Acetyl-p-toluenesulfonanilide;
Density: 1.278 g/cm3
Boiling Point: 462.1 °C at 760 mmHg
Flash Point: 233.3 °C
PSA: 71.62000
LogP: 4.15220
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  • Benzenesulfonamide,N-(4-acetylphenyl)-4-methyl-

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    Benzenesulfonamide,N-(4-acetylphenyl)-4-methyl-

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

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Specification

The CAS registry number of Benzenesulfonamide,N-(4-acetylphenyl)-4-methyl- is 5317-94-2. This chemical is also named as 4'-Acetyl-p-toluenesulfonanilide. In addition, its molecular formula is C15H15NO3S and molecular weight is 289.3495. Its systematic name and IUPAC name are the same which is called N-(4-acetylphenyl)-4-methylbenzenesulfonamide.

Physical properties about Benzenesulfonamide,N-(4-acetylphenyl)-4-methyl- are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 97.17; (6)ACD/BCF (pH 7.4): 77.03; (7)ACD/KOC (pH 5.5): 920.19; (8)ACD/KOC (pH 7.4): 729.43; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.604; (13)Molar Refractivity: 77.92 cm3; (14)Molar Volume: 226.3 cm3; (15)Surface Tension: 51.7 dyne/cm; (16)Density: 1.278 g/cm3; (17)Flash Point: 233.3 °C; (18)Enthalpy of Vaporization: 72.31 kJ/mol; (19)Boiling Point: 462.1 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Nc1ccc(cc1)C(=O)C)c2ccc(cc2)C
(2)InChI: InChI=1/C15H15NO3S/c1-11-3-9-15(10-4-11)20(18,19)16-14-7-5-13(6-8-14)12(2)17/h3-10,16H,1-2H3
(3)InChIKey: FPXRFFCKWPPNEV-UHFFFAOYAP