Benzamide,3-amino-N-[2-[[2-(sulfooxy)ethyl]sulfonyl]ethyl]- (121315-20-6)

The cas register number of 2-[2-[(3-Aminobenzoyl)amino]ethylsulfonyl]ethyl hydrogen sulfate is 121315-20-6. It also can be called as 2-({2-[(3-Aminobenzoyl)amino]ethyl}sulfonyl)ethyl hydrogen sulfate and the Systematic name about this chemical is Benzamide, 3-amino-N-(2-((2-(sulfooxy)ethyl)sulfonyl)ethyl)-.

Physical properties about 2-[2-[(3-Aminobenzoyl)amino]ethylsulfonyl]ethyl hydrogen sulfate are: (1)ACD/LogP:  -1.11; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  -4.58; (4)ACD/LogD (pH 7.4):  -4.61; (5)ACD/BCF (pH 5.5):  1; (6)ACD/BCF (pH 7.4):  1; (7)ACD/KOC (pH 5.5):  1; (8)ACD/KOC (pH 7.4):  1; (9)#H bond acceptors:  9; (10)#H bond donors:  4; (11)#Freely Rotating Bonds:  9; (12)Polar Surface Area:  127.05Ų; (13)Index of Refraction:  1.603; (14)Molar Refractivity:  78.2 cm³; (15)Molar Volume:  227.5 cm³; (16)Surface Tension:  74.4 dyne/cm; (17)Density:  1.548 g/cm³.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(c1cc(N)ccc1)NCCS(=O)(=O)CCOS(=O)(=O)O
2.InChI: InChI=1/C11H16N2O7S2/c12-10-3-1-2-9(8-10)11(14)13-4-6-21(15,16)7-5-20-22(17,18)19/h1-3,8H,4-7,12H2,(H,13,14)(H,17,18,19) 
3.InChIKey: VDSCZRDDLKLPIT-UHFFFAOYAB
4.Std. InChI: InChI=1S/C11H16N2O7S2/c12-10-3-1-2-9(8-10)11(14)13-4-6-21(15,16)7-5-20-22(17,18)19/h1-3,8H,4-7,12H2,(H,13,14)(H,17,18,19).