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72178-38-2

Basic Information
CAS No.: 72178-38-2
Name: N-(4-ACETYL-PHENYL)-4-CHLORO-BENZENESULFONAMIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 72178-38-2 (N-(4-ACETYL-PHENYL)-4-CHLORO-BENZENESULFONAMIDE)
Formula: C14H12ClNO3S
Molecular Weight: 309.773
Synonyms: benzenesulfonamide, N-(4-acetylphenyl)-4-chloro-; N-(4-Acetyl-phenyl)-4-chloro-benzenesulfonamide
Density: 1.395 g/cm3
Boiling Point: 475.7 °C at 760 mmHg
Flash Point: 241.5 °C
PSA: 71.62000
LogP: 4.49720
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Specification

The CAS registry number of Benzenesulfonamide,N-(4-acetylphenyl)-4-chloro- is 72178-38-2. This chemical is also named as 4'-Acetyl-4-chlorobenzenesulfonanilide. In addition, its molecular formula is C14H12ClNO3S and molecular weight is 309.768. Its systematic name and IUPAC name are the same which is called N-(4-acetylphenyl)-4-chlorobenzenesulfonamide.

Physical properties about Benzenesulfonamide,N-(4-acetylphenyl)-4-chloro- are: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.621; (7)Molar Refractivity: 78.12 cm3; (8)Molar Volume: 222 cm3; (9)Surface Tension: 55.4 dyne/cm; (10)Density: 1.395 g/cm3; (11)Flash Point: 241.5 °C; (12)Enthalpy of Vaporization: 73.92 kJ/mol; (13)Boiling Point: 475.7 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(Cl)cc1)Nc2ccc(C(=O)C)cc2
(2)InChI: InChI=1/C14H12ClNO3S/c1-10(17)11-2-6-13(7-3-11)16-20(18,19)14-8-4-12(15)5-9-14/h2-9,16H,1H3
(3)InChIKey: GKSOCGFNKXLNAJ-UHFFFAOYAZ