IUPAC Name: | 3-nitro-4-(oxan-4-ylmethylamino)benzenesulfonamide |
Description: | It is a reagent used in the synthesis of BTK, PI3K and JAK-2 inhibitors. |
Molecular Weight: | 315.35 |
Molecular Formula: | C12H17N3O5S |
Canonical SMILES: | C1COCCC1CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] |
InChI: | InChI=1S/C12H17N3O5S/c13-21(18,19)10-1-2-11(12(7-10)15(16)17)14-8-9-3-5-20-6-4-9/h1-2,7,9,14H,3-6,8H2,(H2,13,18,19) |
InChI Key: | HNQRHNYBVWICKB-UHFFFAOYSA-N |
Boiling Point: | 542.0±60.0 °C (Predicted) |
Melting Point: | 188-191 °C |
Purity: | ≥ 98 % by HPLC |
Density: | 1.412±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | Yellow to dark yellow solid |
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Related Functional Groups
Amines and Anilines
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
3-[(4-Aminopyrazol-1-yl)methyl]-4-methoxybenzoic acid hydrochloride
Pyrans
Sulfur Compounds
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
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