N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide

The N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide, with CAS registry number 936091-26-8, has the systematic name of N-tert-butyl-3-[(5-methyl-2-{[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide. And the chemical formula of this chemical is C₂₇H₃₆N₆O₃S.

Physical properties of N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 7.4): 1.07; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.13; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 9.04; (8)#H bond acceptors: 9; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 90.49 Å²; (12)Index of Refraction: 1.61; (13)Molar Refractivity: 146.04 cm³; (14)Molar Volume: 420.7 cm³; (15)Polarizability: 57.89×10^-24cm³; (16)Surface Tension: 56.5 dyne/cm; (17)Enthalpy of Vaporization: 104.34 kJ/mol; (18)Vapour Pressure: 3.21E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(NC(C)(C)C)c1cccc(c1)Nc2nc(ncc2C)Nc4ccc(OCCN3CCCC3)cc4
(2)InChI: InChI=1/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
(3)InChIKey: JOOXLOJCABQBSG-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
(5)Std. InChIKey: JOOXLOJCABQBSG-UHFFFAOYSA-N