4-Bromo-2-fluorobenzenesulfonamide - CAS 214210-30-7
Catalog: |
BB016831 |
Product Name: |
4-Bromo-2-fluorobenzenesulfonamide |
CAS: |
214210-30-7 |
Synonyms: |
4-bromo-2-fluorobenzenesulfonamide |
IUPAC Name: | 4-bromo-2-fluorobenzenesulfonamide |
Description: | 4-Bromo-2-fluorobenzenesulfonamide (CAS# 214210-30-7) is a useful research chemical. |
Molecular Weight: | 254.08 |
Molecular Formula: | C6H5BrFNO2S |
Canonical SMILES: | C1=CC(=C(C=C1Br)F)S(=O)(=O)N |
InChI: | InChI=1S/C6H5BrFNO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11) |
InChI Key: | ZCPVDHZKGQQHDS-UHFFFAOYSA-N |
Boiling Point: | 240.4 °C at 760 mmHg |
Density: | 1.279 g/cm3 |
MDL: | MFCD03094291 |
LogP: | 3.01670 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020102576-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
TW-202033504-A | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
EP-3880659-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
WO-2019149738-A1 | Protein kinase mkk4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death | 20180131 |
AU-2019216264-A1 | Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death | 20180131 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.92084 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.92084 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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