5-Chloropyridine-3-sulfonyl chloride - CAS 1060802-18-7
Catalog: |
BB001772 |
Product Name: |
5-Chloropyridine-3-sulfonyl chloride |
CAS: |
1060802-18-7 |
Synonyms: |
5-Chloro-3-pyridinesulfonyl chloride; Vonoprazan Impurity 36 |
IUPAC Name: | 5-chloropyridine-3-sulfonyl chloride |
Description: | One of the impurities of Vonoprazan, which is a potassium-competitive acid blocker and has been found to be effective in the treatment of gastroduodenal ulcer and reflux esophagitis. |
Molecular Weight: | 212.05 |
Molecular Formula: | C5H3Cl2NO2S |
Canonical SMILES: | C1=C(C=NC=C1Cl)S(=O)(=O)Cl |
InChI: | InChI=1S/C5H3Cl2NO2S/c6-4-1-5(3-8-2-4)11(7,9)10/h1-3H |
InChI Key: | FQNDXOOGXYFWHZ-UHFFFAOYSA-N |
Density: | 1.615±0.06 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.74330 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2020148634-A1 | Acly inhibitors and uses thereof | 20181109 |
JP-2018138522-A | Method for producing pyridine-3-sulfonyl chloride | 20170224 |
JP-2018138523-A | Method for producing pyridine-3-sulfonyl chloride | 20170224 |
JP-6165373-B1 | Method for producing pyridine-3-sulfonyl chloride | 20170224 |
JP-6165374-B1 | Method for producing pyridine-3-sulfonyl chloride | 20170224 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.9261549 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.9261549 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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