2-Methyl-5-(methylsulfonamido)phenylboronic Acid Pinacol Ester - CAS 710348-21-3
Catalog: |
BB034295 |
Product Name: |
2-Methyl-5-(methylsulfonamido)phenylboronic Acid Pinacol Ester |
CAS: |
710348-21-3 |
Synonyms: |
N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide; N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide |
IUPAC Name: | N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide |
Description: | 2-Methyl-5-(methylsulfonamido)phenylboronic Acid Pinacol Ester (CAS# 710348-21-3 ) is a useful research chemical. |
Molecular Weight: | 311.20 |
Molecular Formula: | C14H22NO4SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)NS(=O)(=O)C)C |
InChI: | InChI=1S/C14H22BNO4S/c1-10-7-8-11(16-21(6,17)18)9-12(10)15-19-13(2,3)14(4,5)20-15/h7-9,16H,1-6H3 |
InChI Key: | SUCCUAMVSDTYKS-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2013333938-A1 | Pyrrolotriazinone derivatives as PI3K inhibitors | 20121016 |
EA-027277-B1 | Pyrrolotriazinone derivatives as pi3k inhibitors | 20121016 |
JP-2015533181-A | Pyrrolotriazinone derivatives as PI3K inhibitors | 20121016 |
KR-20150068953-A | Pyrrolotriazinone derivatives as pi3k inhibitors | 20121016 |
TW-201429975-A | Pyrro-triazinone derivatives as phospholipid inositol 3-kinase inhibitors | 20121016 |
Complexity: | 470 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 311.1362595 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 311.1362595 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 73 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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