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121679-24-1

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Basic Information
CAS No.: 121679-24-1
Name: (E)-N-Methyl-2-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]ethenesulfonamide
Molecular Structure:
Molecular Structure of 121679-24-1 ((E)-N-Methyl-2-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]ethenesulfonamide)
Formula: C17H23N3O2S
Molecular Weight: 333.45
Synonyms: (E)-N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethenesulfonamide;
Density: 1.258 g/cm3
Boiling Point: 544.7 °C at 760 mmHg
Flash Point: 283.2 °C
PSA: 73.58000
LogP: 3.90660
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Specification

The (E)-N-Methyl-2-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]ethenesulfonamide with the CAS number 121679-24-1 is also called (E)-N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethenesulfonamide. Its molecular formula is C17H23N3O2S. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the (E)-N-Methyl-2-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]ethenesulfonamide are: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.55; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 73.58 Å2; (11)Index of Refraction: 1.628; (12)Molar Refractivity: 94.09 cm3; (13)Molar Volume: 264.9 cm3; (14)Polarizability: 37.3×10-24cm3; (15)Surface Tension: 54.2 dyne/cm; (16)Enthalpy of Vaporization: 82.34 kJ/mol; (17)Vapour Pressure: 6.36×10-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CN1CCC(CC1)c2cnc3ccc(/C=C/S(=O)(=O)NC)cc23
(2)InChI: InChI=1/C17H23N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,7,10-12,14,18-19H,5-6,8-9H2,1-2H3/b10-7+
(3)InChIKey: HJDLMUVBTJHSPK-JXMROGBWBU