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2-Pyridinesulfonamide,3-(ethylsulfonyl)-

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Name

2-Pyridinesulfonamide,3-(ethylsulfonyl)-

EINECS 1592732-453-0
CAS No. 117671-01-9 Density 1.473 g/cm3
PSA 123.95000 LogP 2.38450
Solubility N/A Melting Point N/A
Formula C7H10N2O4S2 Boiling Point 544.3 °C at 760 mmHg
Molecular Weight 250.2953 Flash Point 283 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 117671-01-9 (3-ETHYLSULFONYL-2-PYRIDINESULFONAMIDE) Hazard Symbols N/A
Synonyms

2-(Aminosulfonyl)-3-(ethylsulfonyl)pyridine;3-(Ethylsulfonyl)-2-pyridinesulfonamide;

 

2-Pyridinesulfonamide,3-(ethylsulfonyl)- Specification

The 2-Pyridinesulfonamide, 3-(ethylsulfonyl)-, with the CAS registry number of 117671-01-9, is also known as Ethanesulfonylpyridine-2-sulfonamide. This chemical's molecular formula is C7H10N2O4S2 and molecular weight is 250.2953. What's more, its IUPAC name is 3-Ethylsulfonylpyridine-2-sulfonamide.

Physical properties about 2-Pyridinesulfonamide, 3-(ethylsulfonyl)- are: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 22.54; (6)ACD/KOC (pH 7.4): 20.68; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 101.17 Å2; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 55.06 cm3; (13)Molar Volume: 169.8 cm3; (14)Surface Tension: 56.8 dyne/cm; (15)Density: 1.473 g/cm3; (16)Flash Point: 283 °C; (17)Enthalpy of Vaporization: 82.29 kJ/mol; (18)Boiling Point: 544.3 °C at 760 mmHg; (19)Vapour Pressure: 6.57E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ncccc1S(=O)(=O)CC)N
(2) InChI: InChI=1/C7H10N2O4S2/c1-2-14(10,11)6-4-3-5-9-7(6)15(8,12)13/h3-5H,2H2,1H3,(H2,8,12,13)
(3) InChIKey: ZVAJJLYQUHJURI-UHFFFAOYAN

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 7500mg/kg (7500mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR
National Technical Information Service. Vol. OTS0546262,

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