(2-[(methylamino)sulfonyl]phenyl)boronic acid
Product Information
Molecular Formula
C7H10BNO4S
Molecular Weight
215.03
Description
(2-[(methylamino)sulfonyl]phenyl)boronic acid is a valuable reagent in biomedical research, widely used in the synthesis of bioactive compounds and drug molecules. It is widely explored in drug development programs for diseases such as cancer and bacterial infections.
Synonyms
(2-(N-Methylsulfamoyl)phenyl)boronic acid; [2-(METHYLSULFAMOYL)PHENYL]BORONIC ACID; (2-(N-Methylsulfamoyl)phenyl)boronicacid; (2-(N-methyl-sulfamoyl)-phenyl)boronic acid; CS-0061792; FT-0739537; (2-(N-methyl-sulfamoyl)-phenyl) boronic acid; F11402; B-[2-[(methylamino)sulfonyl]phenyl]Boronic acid; A929984; (2-[(methylamino)sulfonyl]phenyl)boronic acid; (2-(N-Methylsulfamoyl)phenyl)boronic acid; (2-[(Methylamino)sulfonyl]phenyl)boronic acid; Boronic acid,B-[2-[(methylamino)sulfonyl]phenyl]-; N-methylbenzenesulfonamide-2-boronic acid
IUPAC Name
[2-(methylsulfamoyl)phenyl]boronic acid
SMILES
B(C1=CC=CC=C1S(=O)(=O)NC)(O)O
InChI
InChI=1S/C7H10BNO4S/c1-9-14(12,13)7-5-3-2-4-6(7)8(10)11/h2-5,9-11H,1H3
InChI Key
AZXVSPOMIIRTDT-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H302 - H315 - H319 - H335
Precautionary Statement
P261 - P305 + P351 + P338
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-2020257429-A1 | Ectonucleotidase inhibitors and methods of use thereof | 2019-06-20 |
| CA-3143496-A1 | Ectonucleotidase inhibitors and methods of use thereof | 2019-06-20 |
| CN-114008048-A | Exonucleotidase inhibitors and methods of use thereof | 2019-06-20 |
| KR-20150126901-A | Antiviral compounds | 2013-03-06 |
| EP-2951170-B1 | Flap modulators | 2013-02-04 |
| EP-3070085-A1 | Flap modulators | 2013-02-04 |
| EP-3070085-B1 | Flap modulators | 2013-02-04 |
| EP-3495359-A1 | Flap modulators | 2013-02-04 |
| ES-2706399-T3 | Modulators of FLAP | 2013-02-04 |
| ES-2716762-T3 | Modulators of FLAP | 2013-02-04 |
