Hexanoic acid,6-[[(4-methylphenyl)sulfonyl]amino]- (78521-39-8)

The 6-[[(4-Methylphenyl)sulphonyl]amino]hexanoic acid with the CAS number 78521-39-8 is also called Hexanoic acid,6-[[(4-methylphenyl)sulfonyl]amino]-. Its molecular formula is C₁₃H₁₉NO₄S. The EINECS registry number is 278-934-5. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 6-[[(4-Methylphenyl)sulphonyl]amino]hexanoic acid are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): -0.65; (5)ACD/BCF (pH 5.5): 2.79; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 42.08; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 72.06 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 73.28 cm³; (15)Molar Volume: 233.4 cm³; (16)Polarizability: 29.05×10^-24cm³; (17)Surface Tension: 47.3 dyne/cm; (18)Enthalpy of Vaporization: 77.82 kJ/mol; (19)Vapour Pressure: 7.73×10^-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)NCCCCCC(=O)O
(2)InChI: InChI=1/C13H19NO4S/c1-11-6-8-12(9-7-11)19(17,18)14-10-4-2-3-5-13(15)16/h6-9,14H,2-5,10H2,1H3,(H,15,16)
(3)InChIKey: GLKZGJGPYOFPKV-UHFFFAOYAK