3-[N-(tert-Butyl)sulfamoyl]phenylboronic Acid Pinacol Ester - CAS 706820-95-3
Catalog: |
BB034212 |
Product Name: |
3-[N-(tert-Butyl)sulfamoyl]phenylboronic Acid Pinacol Ester |
CAS: |
706820-95-3 |
Synonyms: |
N-tert-butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide; N-tert-butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide |
IUPAC Name: | N-tert-butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide |
Description: | 3-[N-(tert-Butyl)sulfamoyl]phenylboronic Acid Pinacol Ester (CAS# 706820-95-3 ) is a useful research chemical. |
Molecular Weight: | 339.26 |
Molecular Formula: | C16H26NO4SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C |
InChI: | InChI=1S/C16H26BNO4S/c1-14(2,3)18-23(19,20)13-10-8-9-12(11-13)17-21-15(4,5)16(6,7)22-17/h8-11,18H,1-7H3 |
InChI Key: | VSJNPEGKWGUNOP-UHFFFAOYSA-N |
LogP: | 3.53430 |
Publication Number | Title | Priority Date |
US-2021177837-A1 | Certain aryl pladienolide compounds and methods of use | 20180412 |
EP-2464641-A1 | Pyrimidine compounds as tuberculosis inhibitors | 20090814 |
EP-2464641-B1 | Pyrimidine compounds as tuberculosis inhibitors | 20090814 |
JP-2013501785-A | Pyrimidine compounds as tuberculosis inhibitors | 20090814 |
KR-20120089648-A | Pyrimidine Compounds As Tuberculosis Inhibitors | 20090814 |
Complexity: | 517 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 339.1675597 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 339.1675597 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 73 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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