3-Bromo-6-fluoro-1-(p-toluenesulfonyl)indole - CAS 887338-51-4
Catalog: |
BB039167 |
Product Name: |
3-Bromo-6-fluoro-1-(p-toluenesulfonyl)indole |
CAS: |
887338-51-4 |
Synonyms: |
3-bromo-6-fluoro-1-(4-methylphenyl)sulfonylindole; 3-bromo-6-fluoro-1-(4-methylphenyl)sulfonylindole |
IUPAC Name: | 3-bromo-6-fluoro-1-(4-methylphenyl)sulfonylindole |
Description: | 3-Bromo-6-fluoro-1-(p-toluenesulfonyl)indole (CAS# 887338-51-4) is a useful research chemical. |
Molecular Weight: | 368.22 |
Molecular Formula: | C15H11BrFNO2S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)F)Br |
InChI: | InChI=1S/C15H11BrFNO2S/c1-10-2-5-12(6-3-10)21(19,20)18-9-14(16)13-7-4-11(17)8-15(13)18/h2-9H,1H3 |
InChI Key: | FELXKTSAXVBKCL-UHFFFAOYSA-N |
LogP: | 5.16910 |
Publication Number | Title | Priority Date |
AU-2017294983-A1 | Inhibitors of tryptophan 2,3-dioxygenase | 20160713 |
CA-3030220-A1 | Inhibitors of tryptophan 2,3-dioxygenase | 20160713 |
EP-3269714-A1 | Inhibitors of tryptophan 2,3-dioxygenase | 20160713 |
EP-3484867-A1 | Inhibitors of tryptophan 2,3-dioxygenase | 20160713 |
JP-2019520411-A | Inhibitor of tryptophan 2,3-dioxygenase | 20160713 |
Complexity: | 473 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 366.96779 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 366.96779 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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