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247237-38-3

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Basic Information
CAS No.: 247237-38-3
Name: 5-Chloro-2-[[(4-methylphenyl)sulfonyl]amino]benzoic acid methyl ester
Article Data: 8
Molecular Structure:
Molecular Structure of 247237-38-3 (5-Chloro-2-[[(4-methylphenyl)sulfonyl]amino]benzoic acid methyl ester)
Formula: C15H14ClNO4S
Molecular Weight: 339.799
Synonyms: benzoic acid, 5-chloro-2-[[(4-methylphenyl)sulfonyl]amino]-, methyl ester;Methyl 5-chloro-2-{[(4-methylphenyl)sulfonyl]amino}benzoate
Density: 1.39 g/cm3
Melting Point: 115 °C
Boiling Point: 483.9 °C at 760 mmHg
Flash Point: 246.5 °C
PSA: 80.85000
LogP: 4.38960
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Specification

The 5-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester, with the CAS registry number 247237-38-3, has molecular formula C15H14ClNO4S. Besides, its molecular weight is 339.794. Its systematic name is called methyl 5-chloro-2-{[(4-methylphenyl)sulfonyl]amino}benzoate. 

Physical properties of 5-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester: (1)ACD/LogP: 5.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.52; (4)ACD/LogD (pH 7.4): 5.36; (5)ACD/BCF (pH 5.5): 9169.1; (6)ACD/BCF (pH 7.4): 6384.12; (7)ACD/KOC (pH 5.5): 23830.43; (8)ACD/KOC (pH 7.4): 16592.27; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.607; (13)Molar Refractivity: 84.49 cm3; (14)Molar Volume: 244.6 cm3; (15)Surface Tension: 54.4 dyne/cm; (16)Density: 1.388 g/cm3; (17)Flash Point: 246.5 °C; (18)Enthalpy of Vaporization: 74.91 kJ/mol; (19)Boiling Point: 483.9 °C at 760 mmHg; (20)Vapour Pressure: 1.61E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(c(NS(=O)(=O)c1ccc(C)cc1)cc2)C(=O)OC
(2)InChI: InChI=1/C15H14ClNO4S/c1-10-3-6-12(7-4-10)22(19,20)17-14-8-5-11(16)9-13(14)15(18)21-2/h3-9,17H,1-2H3
(3)InChIKey: ULLAAIMUVLVAJX-UHFFFAOYAY