3-Sulfamoylphenylboronic Acid Pinacol Ester - CAS 486422-08-6
Catalog: |
BB026569 |
Product Name: |
3-Sulfamoylphenylboronic Acid Pinacol Ester |
CAS: |
486422-08-6 |
Synonyms: |
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide; 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide |
IUPAC Name: | 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide |
Description: | 3-Sulfamoylphenylboronic Acid Pinacol Ester (CAS# 486422-08-6) is a useful research chemical. |
Molecular Weight: | 283.15 |
Molecular Formula: | C12H18NO4SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)S(=O)(=O)N |
InChI: | InChI=1S/C12H18BNO4S/c1-11(2)12(3,4)18-13(17-11)9-6-5-7-10(8-9)19(14,15)16/h5-8H,1-4H3,(H2,14,15,16) |
InChI Key: | OHKKUZJVWWPUNY-UHFFFAOYSA-N |
Appearance: | Powder |
LogP: | 2.41430 |
Publication Number | Title | Priority Date |
TW-201803871-A | Heterocyclic compound as PI3K-γ inhibitor | 20160624 |
US-10227331-B2 | Metallo-β-lactamase inhibitors | 20150626 |
US-2018179190-A1 | Metallo-beta-lactamase inhibitors | 20150626 |
WO-2016206101-A1 | Metallo-beta-lactamase inhibitors | 20150626 |
EP-3303318-A1 | Benzoxazinone derivatives and analogues thereof as modulators of tnf activity | 20150608 |
Complexity: | 427 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.1049594 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.1049594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 87 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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