Basic information
- Standard SMILES
CC(CO)(CO)NS(=O)(=O)c1cnc(Cl)c(Br)c1- InChIKey
PVUKHBBIAGDWFZ-UHFFFAOYSA-N- Molecular formula
- C9H12BrClN2O4S
- Average molar mass
- 359.63 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-6-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3-sulfonamide
- IUPAC
- 5-bromo-6-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3-sulfonamide
Names & synonyms
SCHEMBL1349433PVUKHBBIAGDWFZ-UHFFFAOYSA-NDB-1687855-Bromo-6-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3-sulfonamide5-Bromo-6-chloro-pyridine-3-sulfonic acid (2-hydroxy-1-hydroxymethyl-1-methyl-ethyl)-amide911111-90-5
Database identifiers
- PubChem CID
- 86607992
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 371
Related reactions
10 records
Compound notes
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