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2-Naphthalenesulfonamide,N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]- (10128-55-9)

Identification
Name:2-Naphthalenesulfonamide,N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-
Synonyms:2-Naphthalenesulfonanilide,2'-(4-oxo-4H-3,1-benzoxazin-2-yl)- (7CI,8CI);4H-3,1-Benzoxazine,2-naphthalenesulfonamide deriv.;N-[2-(4-Oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2-naphthalenesulfonamide;
CAS:10128-55-9
EINECS: 233-360-4
Molecular Formula: C24H16N2O4S
Molecular Weight: 428.46
InChI: InChI=1/C24H16N2O4S/c27-24-20-10-4-5-11-21(20)25-23(30-24)19-9-3-6-12-22(19)26-31(28,29)18-14-13-16-7-1-2-8-17(16)15-18/h1-15,26H
Molecular Structure: (C24H16N2O4S) 2-Naphthalenesulfonanilide,2'-(4-oxo-4H-3,1-benzoxazin-2-yl)- (7CI,8CI);4H-3,1-Benzoxazine,2-naphtha...
Properties
Flash Point: 334.6°C
Boiling Point: 629.7°Cat760mmHg
Density:1.38g/cm3
Refractive index:1.691
Specification:

The cas register number of N-[2-(4-Oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2-naphthalenesulfonamide is 10128-55-9. It also can be called as 2-Naphthalenesulfonamide, N-(2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl)- and the Systematic name about this chemical is N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-sulfonamide. It belongs to the Piperazine derivates.

Physical properties about N-[2-(4-Oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2-naphthalenesulfonamide are: (1)ACD/LogP: 4.39; (2)ACD/LogD (pH 5.5): 4.39; (3)ACD/LogD (pH 7.4): 4.24; (4)ACD/BCF (pH 5.5): 1268.81; (5)ACD/BCF (pH 7.4): 899.45; (6)ACD/KOC (pH 5.5): 5785.63; (7)ACD/KOC (pH 7.4): 4101.41; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 84.42Å2; (12)Index of Refraction: 1.691; (13)Molar Refractivity: 118.51 cm3; (14)Molar Volume: 309.5 cm3; (15)Polarizability: 46.98x10-24cm3; (16)Surface Tension: 57.5 dyne/cm; (17)Enthalpy of Vaporization: 93.15 kJ/mol; (18)Vapour Pressure: 9.09E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c2cc1ccccc1cc2)Nc5ccccc5C/4=N/c3c(cccc3)C(=O)O\4
(2)InChI: InChI=1/C24H16N2O4S/c27-24-20-10-4-5-11-21(20)25-23(30-24)19-9-3-6-12-22(19)26-31(28,29)18-14-13-16-7-1-2-8-17(16)15-18/h1-15,26H
(3)InChIKey: SYRKOPHMPLPLPQ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C24H16N2O4S/c27-24-20-10-4-5-11-21(20)25-23(30-24)19-9-3-6-12-22(19)26-31(28,29)18-14-13-16-7-1-2-8-17(16)15-18/h1-15,26H(5)Std. InChIKey: SYRKOPHMPLPLPQ-UHFFFAOYSA-N

Flash Point: 334.6°C
Safety Data
 

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