Glycine,N-[(4-methylphenyl)sulfonyl]-, methyl ester (2645-02-5)

The systematic name of Methyl 2-(4-methylphenylsulfonamido)acetate is methyl N-[(4-methylphenyl)sulfonyl]glycinate. With the CAS registry number 2645-02-5, it is also named as Glycine,N-[(4-methylphenyl)sulfonyl]-, methyl ester. The product's molecular formula is C₁₀H₁₃NO₄S and its molecular weight is 243.28. 

The other characteristics of Methyl 2-(4-methylphenylsulfonamido)acetate can be summarized as: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.52; (5)ACD/BCF (pH 5.5): 8.6; (6)ACD/BCF (pH 7.4): 8.43; (7)ACD/KOC (pH 5.5): 162.42; (8)ACD/KOC (pH 7.4): 159.23; (9)H bond acceptors: 5; (10)H bond donors: 1; (11)Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.06 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 59.59 cm³; (15)Molar Volume: 192.7 cm³; (16)Polarizability: 23.62×10^-24cm³; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.261 g/cm³; (19)Flash Point: 179.1 °C; (20)Melting point: 89-91 °C; (21)Enthalpy of Vaporization: 61.96 kJ/mol; (22)Boiling Point: 372.5 °C at 760 mmHg; (23)Vapour Pressure: 9.58E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=S(=O)(c1ccc(cc1)C)NCC(=O)OC
(2)InChI:InChI=1/C10H13NO4S/c1-8-3-5-9(6-4-8)16(13,14)11-7-10(12)15-2/h3-6,11H,7H2,1-2H3
(3)InChIKey:GYQBPYXMRNEAKZ-UHFFFAOYAD
(4)Std. InChI:InChI=1S/C10H13NO4S/c1-8-3-5-9(6-4-8)16(13,14)11-7-10(12)15-2/h3-6,11H,7H2,1-2H3
(5)Std. InChIKey:GYQBPYXMRNEAKZ-UHFFFAOYSA-N