2-(2,2,2-Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonyl Chloride - CAS 169949-39-7
Catalog: |
BB012588 |
Product Name: |
2-(2,2,2-Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonyl Chloride |
CAS: |
169949-39-7 |
Synonyms: |
2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-6-sulfonyl chloride; 2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-6-sulfonyl chloride |
IUPAC Name: | 2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-6-sulfonyl chloride |
Description: | 2-(2,2,2-Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonyl Chloride (CAS# 169949-39-7 ) is a useful research chemical. |
Molecular Weight: | 327.71 |
Molecular Formula: | C11H9ClF3NO3S |
Canonical SMILES: | C1CN(CC2=C1C=C(C=C2)S(=O)(=O)Cl)C(=O)C(F)(F)F |
InChI: | InChI=1S/C11H9ClF3NO3S/c12-20(18,19)9-2-1-8-6-16(4-3-7(8)5-9)10(17)11(13,14)15/h1-2,5H,3-4,6H2 |
InChI Key: | XYIKTLMPVJQPCE-UHFFFAOYSA-N |
LogP: | 0.00000 |
Publication Number | Title | Priority Date |
WO-2020102576-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
US-10654816-B2 | Compounds and compositions for treating conditions associated with NLRP activity | 20170724 |
US-2020087270-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20170724 |
WO-2019023147-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PATHOLOGICAL CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | 20170724 |
US-2021171477-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20170724 |
Complexity: | 488 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 326.9943765 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 326.9943765 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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