-
Name
N-[5-amino-2-(4-aminophenyl)sulfonyl-phenyl]sulfonylacetamide
- EINECS
- CAS No. 80-80-8
- Density 1.498 g/cm3
- Solubility
- Melting Point
- Formula C14H15N3O5S2
- Boiling Point 717.6°C at 760 mmHg
- Molecular Weight 369.422
- Flash Point 387.8°C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Acetamide,N-(6-sulfanilylmetanilyl)- (6CI,8CI);4,4'-Diaminodiphenylsulfone-2-N-acetylsulfonamide;Acetosulfone;Sulfadiasulfon;Sulfadiasulfone;
- PSA 169.67000
- LogP 4.67290
Acetosulfone Specification
The CAS register number of Acetosulfone is 80-80-8. It also can be called as N-Acetyl-5-amino-2-((4-aminophenyl)sulfonyl)benzenesulfonamide and the IUPAC name about this chemical is N-[5-amino-2-(4-aminophenyl)sulfonylphenyl]sulfonylacetamide. The molecular formula about this chemical is C14H15N3O5S2 and molecular weight is 369.416000 g/mol.
Physical properties about Acetosulfone are: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.38; (4)ACD/LogD (pH 7.4): -1.93; (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: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 111.83Å2; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 89.35 cm3; (15)Molar Volume: 246.5 cm3; (16)Polarizability: 35.42x10-24cm3; (17)Surface Tension: 66.6 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1c(ccc(N)c1)S(=O)(=O)c2ccc(N)cc2)NC(=O)C
(2)InChI: InChI=1/C14H15N3O5S2/c1-9(18)17-24(21,22)14-8-11(16)4-7-13(14)23(19,20)12-5-2-10(15)3-6-12/h2-8H,15-16H2,1H3,(H,17,18)
(3)InChIKey: RAMPGXSXWLFXFU-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C14H15N3O5S2/c1-9(18)17-24(21,22)14-8-11(16)4-7-13(14)23(19,20)12-5-2-10(15)3-6-12/h2-8H,15-16H2,1H3,(H,17,18)
(5)Std. InChIKey: RAMPGXSXWLFXFU-UHFFFAOYSA-N
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