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Benzamide,N-[(5-bromo-2-thienyl)sulfonyl]-2,4-dichloro- (519055-62-0)

Identification
Name:Benzamide,N-[(5-bromo-2-thienyl)sulfonyl]-2,4-dichloro-
Synonyms:LY 573636;N-(2,4-Dichlorobenzoyl)-5-bromothiophene-2-sulfonamide;Tasisulam;
CAS:519055-62-0
Molecular Formula: C11H6BrCl2NO3S2
Molecular Weight: 415.11
Molecular Structure: (C11H6BrCl2NO3S2) LY 573636;N-(2,4-Dichlorobenzoyl)-5-bromothiophene-2-sulfonamide;Tasisulam;
Properties
Density:1.812
Specification:

The CAS register number of Tasisulam is 519055-62-0. It also can be called as N-(2,4-Dichlorobenzoyl)-5-bromothiophene-2-sulfonamide and the systematic name about this chemical is N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide. The molecular formula about this chemical is C11H6BrCl2NO3S2 and the molecular weight is 415.11.

Physical properties about Tasisulam are: (1)ACD/LogP: 3.90; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 9; (5)ACD/BCF (pH 7.4): 6; (6)ACD/KOC (pH 5.5): 51; (7)ACD/KOC (pH 7.4): 33; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 99.86Å2; (12)Index of Refraction: 1.657; (13)Molar Refractivity: 84.196 cm3; (14)Molar Volume: 229.007 cm3; (15)Polarizability: 33.378x10-24cm3; (16)Surface Tension: 61.308 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1sc(Br)cc1)NC(=O)c2ccc(Cl)cc2Cl
(2)InChI: InChI=1/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)
(3)InChIKey: WWONFUQGBVOKOF-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)
(5)Std. InChIKey: WWONFUQGBVOKOF-UHFFFAOYSA-N

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