Benzeneacetic acid,4-[2-[[(4-chlorophenyl)sulfonyl]amino]ethyl]- (79094-20-5)

The CAS register number of Daltroban is 79094-20-5. It also can be called as Benzeneacetic acid,4-[2-[[(4-chlorophenyl)sulfonyl]amino]ethyl]- and the IUPAC name about this chemical is 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]acetic acid. The molecular formula about this chemical is C₁₆H₁₆ClNO₄S and the molecular weight is 353.82.

Physical properties about Daltroban are: (1)ACD/LogP: 3.40; (2)ACD/LogD (pH 5.5): 2.21; (3)ACD/LogD (pH 7.4): 0.41; (4)ACD/BCF (pH 5.5): 14.49; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 108.28; (7)ACD/KOC (pH 7.4): 1.75; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 72.06Ų; (12)Index of Refraction: 1.609; (13)Molar Refractivity: 88.92 cm³; (14)Molar Volume: 256.6 cm³; (15)Polarizability: 35.25x10^-24cm³; (16)Surface Tension: 56.3 dyne/cm; (17)Enthalpy of Vaporization: 88.03 kJ/mol; (18)Boiling Point: 555.3 °C at 760 mmHg; (19)Vapour Pressure: 3.63E-13 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(Cl)cc1)NCCc2ccc(cc2)CC(=O)O
(2)InChI: InChI=1/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)
(3)InChIKey: IULOBWFWYDMECP-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)
(5)Std. InChIKey: IULOBWFWYDMECP-UHFFFAOYSA-N