N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)methanesulfonamide
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Basic information
- CAS
843646-66-2- Standard SMILES
CC1(C)OB(c2cccc(CNS(C)(=O)=O)c2)OC1(C)C- InChIKey
IILIUXDZJZWILP-UHFFFAOYSA-N- Molecular formula
- C14H22BNO4S
- Average molar mass
- 311.2 g/mol
Names & identifiers
- Preferred name
- N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)methanesulfonamide
- IUPAC
- N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]methanesulfonamide
- English name
- N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]methanesulfonamide
- Molecular formula
- C14H22BNO4S
- Molecular weight
- 311.2
Names & synonyms
843646-66-2N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)methanesulfonamideMFCD09965517N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]methanesulfonamideN-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]methanesulfonamideN-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-methanesulfonamideSCHEMBL3093229SCHEMBL30049544IILIUXDZJZWILP-UHFFFAOYSA-NAKOS032949154DA-02466G72352
Show more names
[3-(Methanesulfonamidomethyl)phenyl]boronic Acid Pinacol EsterMethanesulfonamide, N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-
Database identifiers
- CAS
843646-66-2- Nikkaji
- J2.963.296K
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 456
Physicochemical properties
- Melting point
- 118 · 118-119 °C
- Boiling point
- 454.6 · 454.6±55.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 10.44 · 10.44±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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