4-(N-Isobutyrylsulfamoyl)phenylboronic acid
Basic information
- CAS
957120-73-9- Standard SMILES
CC(C)C(=O)NS(=O)(=O)c1ccc(B(O)O)cc1- InChIKey
ULFYGOKHOJNHLQ-UHFFFAOYSA-N- Molecular formula
- C10H14BNO5S
- Average molar mass
- 271.1 g/mol
- Monoisotopic mass
- 271.0685739
Names & identifiers
- Preferred name
- 4-(N-Isobutyrylsulfamoyl)phenylboronic acid
- IUPAC
- [4-(2-methylpropanoylsulfamoyl)phenyl]boronic acid
- English name
- 4-N-isobutyrylsulfamoylphenylboronic acid
- Molecular formula
- C10H14BNO5S
- Molecular weight
- 271.1
Names & synonyms
957120-73-94-(N-Isobutyrylsulfamoyl)phenylboronic acid(4-(N-Isobutyrylsulfamoyl)phenyl)boronic acidMFCD09800863[4-(2-methylpropanoylsulfamoyl)phenyl]boronic acid{4-[(2-methylpropanamido)sulfonyl]phenyl}boronic acid(4-(N-Isobutyrylsulfamoyl)phenyl)boronicacidSCHEMBL29950584DTXSID20656902AKOS015837548BS-24574DB-367074
Show more names
N-Isobutyryl 4-boronobenzenesulfonamide4-N-isobutyrylsulfamoylphenylboronic acid4-(N-Isobutanoylsulfamoyl)benzeneboronic acidBoronic acid, B-[4-[[(2-methyl-1-oxopropyl)amino]sulfonyl]phenyl]-4-(N-Isobutyrylsulphamoyl)benzeneboronic acid, 4-Borono-N-(2-methylpropanoyl)benzenesulphonamide
CS-01746564-(N-Isobutanoylsulphamoyl)benzeneboronic acid4-(N-Isobutyrylsulphamoyl)benzeneboronic acid{4-[(2-Methylpropanoyl)sulfamoyl]phenyl}boronic acid
Database identifiers
- CAS
957120-73-9- PubChem CID
- 44118596
- DTXSID
DTXSID20656902
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312+P330-P501
- HS Code
- 2931900090 · 2931900090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312+P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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