5-(2-bromoacetyl)-2-fluorobenzenesulfonamide

C8H7BrFNO3S — CID 11808590

IUPAC5-(2-bromoacetyl)-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)CBr)ccc1F
InChIInChI=1S/C8H7BrFNO3S/c9-4-7(12)5-1-2-6(10)8(3-5)15(11,13)14/h1-3H,4H2,(H2,11,13,14)
InChIKeyZQYPNMXNPRYKOM-UHFFFAOYSA-N
MW296.12 g/mol
LogP1.05
Rot. Bonds3

About 5-(2-bromoacetyl)-2-fluorobenzenesulfonamide

5-(2-bromoacetyl)-2-fluorobenzenesulfonamide (PubChem CID 11808590) has the molecular formula C8H7BrFNO3S and a molecular weight of 296.12 g/mol. Its IUPAC name is 5-(2-bromoacetyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-(2-bromoacetyl)-2-fluorobenzenesulfonamide
PubChem CID11808590
Molecular FormulaC8H7BrFNO3S
Molecular Weight296.12 g/mol
Exact Mass294.93
IUPAC Name5-(2-bromoacetyl)-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)CBr)ccc1F
InChIInChI=1S/C8H7BrFNO3S/c9-4-7(12)5-1-2-6(10)8(3-5)15(11,13)14/h1-3H,4H2,(H2,11,13,14)
InChIKeyZQYPNMXNPRYKOM-UHFFFAOYSA-N
XLogP1.05
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(2-bromoacetyl)-2-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone
CID 126970439
2-bromo-1-(3-bromo-4-fluorophenyl)ethanone
CID 2782783
4-fluoro-N-(2-fluorophenyl)-3-sulfamoylbenzamide
CID 38765202
N-ethyl-4-fluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 79472536
4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 115590000
2-bromo-1-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]ethanone
CID 170992234
1-(4-acetyl-3-fluorophenyl)-2-bromoethanone
CID 19853167
2-bromo-1-[4-fluoro-3-(trifluoromethoxy)phenyl]ethanone
CID 98041667
N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide
CID 115880589
4-fluoro-N-(3-methylsulfinylbutyl)-3-sulfamoylbenzamide
CID 115729437
5-carbamoyl-2-fluorobenzenesulfonyl chloride
CID 65368033
4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide
CID 107421023

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoacetyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-(2-bromoacetyl)-2-fluorobenzenesulfonamide (CID 11808590) is 5-(2-bromoacetyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-(2-bromoacetyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-(2-bromoacetyl)-2-fluorobenzenesulfonamide is NS(=O)(=O)c1cc(C(=O)CBr)ccc1F.
What is the InChIKey of 5-(2-bromoacetyl)-2-fluorobenzenesulfonamide?
The InChIKey is ZQYPNMXNPRYKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO3S/c9-4-7(12)5-1-2-6(10)8(3-5)15(11,13)14/h1-3H,4H2,(H2,11,13,14).
What are the key properties of 5-(2-bromoacetyl)-2-fluorobenzenesulfonamide?
5-(2-bromoacetyl)-2-fluorobenzenesulfonamide has a molecular weight of 296.12 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoacetyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 11808590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).