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81-09-4

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Basic Information
CAS No.: 81-09-4
Name: N-ethyl-2-nitro-N-phenylbenzenesulphonamide
Molecular Structure:
Molecular Structure of 81-09-4 (N-ethyl-2-nitro-N-phenylbenzenesulphonamide)
Formula: C14H14N2O4S
Molecular Weight: 306.33696
Synonyms: Benzenesulfonanilide,N-ethyl-2-nitro- (8CI);N-Ethyl-2-nitrobenzenesulfonanilide;N-Ethyl-o-nitrobenzenesulfonanilide;
EINECS: 201-323-1
Density: 1.358 g/cm3
Boiling Point: 466.2 °C at 760 mmHg
Flash Point: 235.8 °C
PSA: 91.58000
LogP: 4.41400
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Specification

The CAS register number of Benzenesulfonamide,N-ethyl-2-nitro-N-phenyl- is 81-09-4. It also can be called as N-Ethyl-2-nitrobenzenesulfonanilide and the IUPAC name about this chemical is N-ethyl-2-nitro-N-phenylbenzenesulfonamide. The molecular formula about this chemical is C14H14N2O4S and molecular weight is 306.33696.

Physical properties about Benzenesulfonamide,N-ethyl-2-nitro-N-phenyl- are: (1)ACD/LogP: 2.49; (2)ACD/LogD (pH 5.5): 2.49; (3)ACD/LogD (pH 7.4): 2.49; (4)ACD/BCF (pH 5.5): 46.21; (5)ACD/BCF (pH 7.4): 46.21; (6)ACD/KOC (pH 5.5): 541.01; (7)ACD/KOC (pH 7.4): 541.01; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 91.58Å2; (11)Index of Refraction: 1.622; (12)Molar Refractivity: 79.45 cm3; (13)Molar Volume: 225.4 cm3; (14)Polarizability: 31.49x10-24cm3; (15)Surface Tension: 57.4 dyne/cm; (16)Enthalpy of Vaporization: 72.8 kJ/mol; (17)Boiling Point: 466.2 °C at 760 mmHg; (18)Vapour Pressure: 7.21E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N(c1ccccc1)CC)c2ccccc2[N+]([O-])=O
(2)InChI: InChI=1/C14H14N2O4S/c1-2-15(12-8-4-3-5-9-12)21(19,20)14-11-7-6-10-13(14)16(17)18/h3-11H,2H2,1H3
(3)InChIKey: NPJNXMOLTGZEHG-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C14H14N2O4S/c1-2-15(12-8-4-3-5-9-12)21(19,20)14-11-7-6-10-13(14)16(17)18/h3-11H,2H2,1H3
(5)Std. InChIKey: NPJNXMOLTGZEHG-UHFFFAOYSA-N