2,6-Difluoro-3-(propylsulfonamido)benzoic Acid - CAS 1103234-56-5
Catalog: |
BB002613 |
Product Name: |
2,6-Difluoro-3-(propylsulfonamido)benzoic Acid |
CAS: |
1103234-56-5 |
Synonyms: |
2,6-difluoro-3-(propylsulfonylamino)benzoic acid; 2,6-difluoro-3-(propylsulfonylamino)benzoic acid |
IUPAC Name: | 2,6-difluoro-3-(propylsulfonylamino)benzoic acid |
Description: | 2,6-Difluoro-3-(propylsulfonamido)benzoic Acid (CAS# 1103234-56-5) is a useful research chemical. |
Molecular Weight: | 279.26 |
Molecular Formula: | C10H11F2NO4S |
Canonical SMILES: | CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)O)F |
InChI: | InChI=1S/C10H11F2NO4S/c1-2-5-18(16,17)13-7-4-3-6(11)8(9(7)12)10(14)15/h3-4,13H,2,5H2,1H3,(H,14,15) |
InChI Key: | RTAWCKGXCGSFJI-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD18157658 |
LogP: | 2.96850 |
Publication Number | Title | Priority Date |
US-2020407344-A1 | Compounds for the treatment of braf-associated diseases and disorders | 20190628 |
WO-2020261156-A1 | Quinazolin-4-one derivatives useful for the treatment of braf-associated diseases and disorders | 20190628 |
WO-2019243315-A1 | Tricyclic protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death | 20180621 |
EP-3810139-A1 | Tricyclic protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death | 20180621 |
US-2021261545-A1 | Tricyclic protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death | 20180621 |
Complexity: | 395 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.03768533 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.03768533 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 91.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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