2-bromo-1-fluoro-4-(2-methoxyethylsulfonyl)benzene

C9H10BrFO3S — CID 58521918

IUPAC2-bromo-1-fluoro-4-(2-methoxyethylsulfonyl)benzene
SMILESCOCCS(=O)(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C9H10BrFO3S/c1-14-4-5-15(12,13)7-2-3-9(11)8(10)6-7/h2-3,6H,4-5H2,1H3
InChIKeyBFGNJSZHERKBIR-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.01
Rot. Bonds4

About 2-bromo-1-fluoro-4-(2-methoxyethylsulfonyl)benzene

2-bromo-1-fluoro-4-(2-methoxyethylsulfonyl)benzene (PubChem CID 58521918) has the molecular formula C9H10BrFO3S and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-bromo-1-fluoro-4-(2-methoxyethylsulfonyl)benzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-4-(2-methoxyethylsulfonyl)benzene
PubChem CID58521918
Molecular FormulaC9H10BrFO3S
Molecular Weight297.15 g/mol
Exact Mass295.95
IUPAC Name2-bromo-1-fluoro-4-(2-methoxyethylsulfonyl)benzene
SMILESCOCCS(=O)(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C9H10BrFO3S/c1-14-4-5-15(12,13)7-2-3-9(11)8(10)6-7/h2-3,6H,4-5H2,1H3
InChIKeyBFGNJSZHERKBIR-UHFFFAOYSA-N
XLogP2.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-1-fluoro-4-(2-methoxyethylsulfonyl)benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-4-(2-methoxyethylsulfonyl)benzene?
The IUPAC name of 2-bromo-1-fluoro-4-(2-methoxyethylsulfonyl)benzene (CID 58521918) is 2-bromo-1-fluoro-4-(2-methoxyethylsulfonyl)benzene.
What is the SMILES notation for 2-bromo-1-fluoro-4-(2-methoxyethylsulfonyl)benzene?
The canonical SMILES for 2-bromo-1-fluoro-4-(2-methoxyethylsulfonyl)benzene is COCCS(=O)(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-1-fluoro-4-(2-methoxyethylsulfonyl)benzene?
The InChIKey is BFGNJSZHERKBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO3S/c1-14-4-5-15(12,13)7-2-3-9(11)8(10)6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-bromo-1-fluoro-4-(2-methoxyethylsulfonyl)benzene?
2-bromo-1-fluoro-4-(2-methoxyethylsulfonyl)benzene has a molecular weight of 297.15 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-4-(2-methoxyethylsulfonyl)benzene is sourced from PubChem (CID 58521918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).