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65938-79-6

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Basic Information
CAS No.: 65938-79-6
Name: 2-Pyridinesulfonamide, 3-methyl-
Molecular Structure:
Molecular Structure of 65938-79-6 (2-Pyridinesulfonamide, 3-methyl-)
Formula: C6H8N2O2S
Molecular Weight: 172.20
Synonyms: 2-Pyridinesulfonamide, 3-methyl-;7-Quinolamine-1,2,3,4-tetrahydro-1-isobutyl;7-Quinolamine-1,2,3,4-tetrahydro-1-propyl;Carbamic acid, (4-chlorobutyl)-, 1,1-dimethylethyl ester;3-Methyl-pyridine-2-sulfonicacidamide;3-Methyl-2-Pyridinesulfonamide;2-Pyridinesulfonamide,3-methyl-(9CI);3-methylpyridine-2-sulfonamide
Density: 1.347
Melting Point: 184-186 °C
Boiling Point: 370.41 °C at 760 mmHg
Flash Point: 177.818 °C
PSA: 81.43000
LogP: 1.81850
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Specification

The Fenretinide is an organic compound with the formula C6H8N2O2S. The IUPAC name of this chemical is 3-methylpyridine-2-sulfonamide. With the CAS registry number 65938-79-6, it is also named as 2-pyridinesulfonamide, 3-methyl-. The product categoriy is sulfonamide.

Physical properties about this chemical are: (1)ACD/LogP:  0.38; (2)# of Rule of 5 Violations:  0(3)ACD/LogD (pH 5.5):  0.377; (4)ACD/LogD (pH 7.4):  0.374(5)ACD/BCF (pH 5.5):  1.139; (6)ACD/BCF (pH 7.4):  1.131(7)ACD/KOC (pH 5.5):  38.208; (8)ACD/KOC (pH 7.4):  37.94; (9)#H bond acceptors:  4; (10)#H bond donors:  2; (11)#Freely Rotating Bonds:  1; (12)Index of Refraction:  1.564; (13)Molar Refractivity:  41.613 cm3; (14)Molar Volume:  127.881 cm3; (15)Surface Tension:  54.104 dyne/cm; (16)Density:  1.347 g/cm3; (17)Flash Point:  177.818 °C; (18)Enthalpy of Vaporization:  61.73 kJ/mol; (19)Boiling Point:  370.41 °C at 760 mmHg.

Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: CC1=C(N=CC=C1)S(=O)(=O)N
(2)InChI: InChI=1S/C6H8N2O2S/c1-5-3-2-4-8-6(5)11(7,9)10/h2-4H,1H3,(H2,7,9,10)
(3)InChIKey: ZOEZYLUVSDCJLS-UHFFFAOYSA-N