The 4-Chloro-N,N-diethyl-3-nitrobenzenesulfonamide, with the CAS registry number 127-53-7, is also known as Benzenesulfonamide, 4-chloro-N,N-diethyl-3-nitro-. This chemical's molecular formula is C10H13ClN2O4S and molecular weight is 292.74. Its IUPAC name is called 4-chloro-N,N-diethyl-3-nitrobenzenesulfonamide.
Physical properties of 4-Chloro-N,N-diethyl-3-nitrobenzenesulfonamide: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Index of Refraction: 1.563; (7)Molar Refractivity: 68.83 cm3; (8)Molar Volume: 211.7 cm3; (9)Surface Tension: 50.3 dyne/cm; (10)Density: 1.382 g/cm3; (11)Flash Point: 201.3 °C; (12)Enthalpy of Vaporization: 66.14 kJ/mol; (13)Boiling Point: 409.3 °C at 760 mmHg; (14)Vapour Pressure: 6.57E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
(2)InChI: InChI=1S/C10H13ClN2O4S/c1-3-12(4-2)18(16,17)8-5-6-9(11)10(7-8)13(14)15/h5-7H,3-4H2,1-2H3
(3)InChIKey: PQUNWYHOMQGOAT-UHFFFAOYSA-N
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