4-Fluoroisoquinoline-5-sulfonyl Chloride - CAS 194032-33-2
Catalog: |
BB015033 |
Product Name: |
4-Fluoroisoquinoline-5-sulfonyl Chloride |
CAS: |
194032-33-2 |
Synonyms: |
4-fluoro-5-isoquinolinesulfonyl chloride; 4-fluoroisoquinoline-5-sulfonyl chloride |
IUPAC Name: | 4-fluoroisoquinoline-5-sulfonyl chloride |
Description: | 4-Fluoroisoquinoline-5-sulfonyl Chloride (CAS# 194032-33-2) is a useful research chemical. |
Molecular Weight: | 245.66 |
Molecular Formula: | C9H5ClFNO2S |
Canonical SMILES: | C1=CC2=CN=CC(=C2C(=C1)S(=O)(=O)Cl)F |
InChI: | InChI=1S/C9H5ClFNO2S/c10-15(13,14)8-3-1-2-6-4-12-5-7(11)9(6)8/h1-5H |
InChI Key: | UZUCKWMDQGESLP-UHFFFAOYSA-N |
LogP: | 3.38220 |
Publication Number | Title | Priority Date |
CN-111909088-A | Utilizing BTC/Ph3Method for preparing isoquinoline hydrochloride intermediate and Rho kinase inhibitor by PO chloro system | 20200804 |
US-2020140412-A1 | Rock kinase inhibitors | 20181106 |
WO-2020097158-A1 | Rock kinase inhibitors | 20181106 |
US-10745381-B2 | Substituted isoquinolines and phthalazines as rock kinase inhibitors | 20181106 |
US-2020262844-A1 | Rock kinase inhibitors | 20181106 |
PMID | Publication Date | Title | Journal |
23007548 | 20121001 | Three derivatives of 4-fluoro-5-sulfonylisoquinoline | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.9713554 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.9713554 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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