3-(Methylsulfonylamino)phenylboronic Acid
Product Information
Molecular Formula
C7H10NO4SB
Molecular Weight
215.03
Description
3-(Methylsulfonylamino)phenylboronic Acid (CAS# 148355-75-3) is a useful research chemical.
Synonyms
[3-(methanesulfonamido)phenyl]boronic acid; [3-(methanesulfonamido)phenyl]boronic acid
IUPAC Name
[3-(methanesulfonamido)phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)NS(=O)(=O)C)(O)O
InChI
InChI=1S/C7H10BNO4S/c1-14(12,13)9-7-4-2-3-6(5-7)8(10)11/h2-5,9-11H,1H3
InChI Key
XUIQQIRLFMCWLN-UHFFFAOYSA-N
Boiling Point
433.7 °C at 760 mmHg
Flash Point
Not applicable
Density
1.42 g/cm3
LogP
-0.10830
Safety Information
Hazards
H302 - H319
Precautionary Statement
P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
215.0423591 g/mol
Monoisotopic Mass
215.0423591 g/mol
Topological Polar Surface Area
95Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
274
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2020247804-A1 | Heterocycle substituted pyridine derivative antifungal agents | 2019-06-07 |
| US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 2018-03-21 |
| WO-2019180646-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 2018-03-21 |
| AU-2019237344-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 2018-03-21 |
| CA-3093057-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 2018-03-21 |
| CN-111886233-A | Novel triazolone derivative or salt thereof and pharmaceutical composition comprising the same | 2018-03-21 |
| KR-20200124759-A | Novel triazolone derivative or salt thereof, and pharmaceutical composition comprising the same | 2018-03-21 |
| EP-3768675-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 2018-03-21 |
| US-10995086-B2 | Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 2018-03-21 |
| JP-2021518384-A | A novel triazolone derivative or a salt thereof, and a pharmaceutical composition containing these. | 2018-03-21 |
