4-Fluoro-3-nitrobenzenesulfonamide - CAS 406233-31-6
Catalog: |
BB024593 |
Product Name: |
4-Fluoro-3-nitrobenzenesulfonamide |
CAS: |
406233-31-6 |
Synonyms: |
4-fluoro-3-nitrobenzenesulfonamide; 4-fluoro-3-nitrobenzenesulfonamide |
IUPAC Name: | 4-fluoro-3-nitrobenzenesulfonamide |
Description: | Reagent used to synthesize substituted arylsulfonamide derivatives. |
Molecular Weight: | 220.18 |
Molecular Formula: | C6H5FN2O4S |
Canonical SMILES: | C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])F |
InChI: | InChI=1S/C6H5FN2O4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H,(H2,8,12,13) |
InChI Key: | FAYVDRRKPVJSPE-UHFFFAOYSA-N |
Boiling Point: | 411.103 °C at 760 mmHg |
Density: | 1.637 g/cm3 |
MDL: | MFCD08703185 |
LogP: | 2.68560 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113248415-A | Preparation method of ABT-737 key intermediate and preparation method of ABT-737 | 20210526 |
CN-112375017-A | Synthesis method of important intermediate 4-fluoro-3-nitrobenzenesulfonamide of antiviral drug 0994 | 20201202 |
WO-2021211922-A1 | Spiro-sulfonimidamide derivatives as inhibitors of myeloid cell leukemia-1 (mcl-1) protein | 20200416 |
WO-2021173523-A1 | Hot melt extruded solid dispersions containing a bcl2 inhibitor | 20200224 |
WO-2021133817-A1 | 1h-pyrrolo[2,3-b]pyridine derivatives as bcl-2 inhibitors for the treatment of neoplastic and autoimmune diseases | 20191227 |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.99540598 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.99540598 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 114 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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