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Basic Information
CAS No.: 65938-78-5
Name: 2-Pyridinesulfonamide,4-methyl-(9CI)
Article Data: 2
Molecular Structure:
Molecular Structure of 65938-78-5 (2-Pyridinesulfonamide,4-methyl-(9CI))
Formula: C6H8N2O2S
Molecular Weight: 172.208
Synonyms: 4-Methyl-pyridine-2-sulfonicacid amide;2-Pyridinesulfonamide,4-methyl-(9CI);
Density: 1.347 g/cm3
Boiling Point: 381.598 °C at 760 mmHg
Flash Point: 184.584 °C
PSA: 81.43000
LogP: 1.81850
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Specification

The IUPAC name of 2-Pyridinesulfonamide,4-methyl- is 4-methylpyridine-2-sulfonamide. With the CAS registry number 65938-78-5, it is also named as 4-Methyl-pyridine-2-sulfonicacid amide. The product's categories are Sulfonamide; Pyridine. In addition, its molecular formula is C6H8N2O2S and its molecular weight is 172.2049.

The other characteristics of 2-Pyridinesulfonamide,4-methyl- can be summarized as: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): 0.267; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.411; (8)ACD/KOC (pH 7.4): 33.175; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 81.43 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 41.613 cm3; (15)Molar Volume: 127.881 cm3; (16)Polarizability: 16.497×10-24cm3; (17)Surface Tension: 54.104 dyne/cm; (18)Density: 1.347 g/cm3; (19)Flash Point: 184.584 °C; (20)Enthalpy of Vaporization: 62.99 kJ/mol; (21)Boiling Point: 381.598 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cc1ccnc(c1)S(=O)(=O)N
(2)InChI: InChI=1/C6H8N2O2S/c1-5-2-3-8-6(4-5)11(7,9)10/h2-4H,1H3,(H2,7,9,10)
(3)InChIKey: FBMGULVEPROMAT-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H8N2O2S/c1-5-2-3-8-6(4-5)11(7,9)10/h2-4H,1H3,(H2,7,9,10)
(5)Std. InChIKey: FBMGULVEPROMAT-UHFFFAOYSA-N