PHENYL-[1-(TOLUENE-4-SULFONYL)-1H-PYRROL-3-YL]-METHANONE

This chemical is called Methanone, [1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-3-yl]phenyl-, and its systematic name is {1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-3-yl}(phenyl)methanone. With the molecular formula of C₁₈H₁₅NO₃S, its CAS registry number is 139261-90-8. Additionally, its product categories are Azoles; Blocks.

Other characteristics of theMethanone, [1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-3-yl]phenyl- can be summarised as followings: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.69; (4)ACD/LogD (pH 7.4): 3.69; (5)ACD/BCF (pH 5.5): 377.31; (6)ACD/BCF (pH 7.4): 377.31; (7)ACD/KOC (pH 5.5): 2432.25; (8)ACD/KOC (pH 7.4): 2432.25; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.52 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 92.23 cm³; (15)Molar Volume: 264.3 cm³; (16)Polarizability: 36.56×10^-24cm³; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 267 °C; (20)Enthalpy of Vaporization: 79.03 kJ/mol; (21)Boiling Point: 517.9 °C at 760 mmHg; (22)Vapour Pressure: 7.88E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccn(c1)S(=O)(=O)c2ccc(cc2)C)c3ccccc3
2.InChI: InChI=1/C18H15NO3S/c1-14-7-9-17(10-8-14)23(21,22)19-12-11-16(13-19)18(20)15-5-3-2-4-6-15/h2-13H,1H3
3.InChIKey: WRDSTJINSJFSNC-UHFFFAOYAF