3-Bromobenzenesulfonamide - CAS 89599-01-9
Catalog: |
BB039536 |
Product Name: |
3-Bromobenzenesulfonamide |
CAS: |
89599-01-9 |
Synonyms: |
3-bromobenzenesulfonamide |
IUPAC Name: | 3-bromobenzenesulfonamide |
Description: | 3-Bromobenzenesulfonamide (CAS# 89599-01-9) is a useful research chemical. |
Molecular Weight: | 236.09 |
Molecular Formula: | C6H6BrNO2S |
Canonical SMILES: | C1=CC(=CC(=C1)Br)S(=O)(=O)N |
InChI: | InChI=1S/C6H6BrNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10) |
InChI Key: | MUBJNMWVQGHHLG-UHFFFAOYSA-N |
Boiling Point: | 375.8 °C at 760 mmHg |
Melting Point: | 155-158 °C |
Purity: | 98 % |
Density: | 1.754 g/cm3 |
Appearance: | White powder |
MDL: | MFCD00084903 |
LogP: | 2.87760 |
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 |
CN-112300134-A | ASK1 inhibitor and derivative thereof, preparation method, pharmaceutical composition and application | 20201030 |
WO-2021188728-A1 | Selective non-cyclic nucleotide activators for the camp sensor epac1 | 20200317 |
WO-2021097054-A1 | 6-membered heteroarylaminosulfonamides for treating diseases and conditions mediated by deficient cftr activity | 20191112 |
WO-2021097057-A1 | 5-membered heteroarylaminosulfonamides for treating conditions mediated by deficient cftr activity | 20191112 |
WO-2021068950-A1 | Amide compound and medical use thereof as sting inhibitor | 20191012 |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.93026 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.93026 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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