4-bromo-N-(2-fluoro-4-methylphenyl)benzenesulfonamide

HCID 26979418

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)c(F)c1
InChIKey: QXOQTSSYYDIDFD-UHFFFAOYSA-N
Molecular formula: C13H11BrFNO2S
Average molar mass: 344.2 g/mol
Monoisotopic mass: 342.96779

Names & identifiers

Preferred name: 4-bromo-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
IUPAC: 4-bromo-N-(2-fluoro-4-methylphenyl)benzenesulfonamide

Names & synonyms

911199-64-94-bromo-N-(2-fluoro-4-methylphenyl)benzenesulfonamide4-Bromo-N-(2-fluoro-4-methyl-phenyl)-benzenesulfonSCHEMBL30759354-bromo-N-(2-fluoro-4-methyl-phenyl)-benzenesulfonamideQXOQTSSYYDIDFD-UHFFFAOYSA-NAKOS008685973

Database identifiers

PubChem CID: 26979418

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 390

Related reactions

4 records

New reaction record

HRID 1710386As reactantuspto-grants-2010_09

HRID 1710389As productuspto-grants-2010_09

HRID 2139366As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2157952As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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