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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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