1-[4-(2-bromo-4-fluorophenyl)sulfonylphenyl]ethanone

C14H10BrFO3S — CID 59753106

IUPAC1-[4-(2-bromo-4-fluorophenyl)sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C14H10BrFO3S/c1-9(17)10-2-5-12(6-3-10)20(18,19)14-7-4-11(16)8-13(14)15/h2-8H,1H3
InChIKeyYACJKPSMJBSQOL-UHFFFAOYSA-N
MW357.20 g/mol
LogP3.62
Rot. Bonds3

About 1-[4-(2-bromo-4-fluorophenyl)sulfonylphenyl]ethanone

1-[4-(2-bromo-4-fluorophenyl)sulfonylphenyl]ethanone (PubChem CID 59753106) has the molecular formula C14H10BrFO3S and a molecular weight of 357.20 g/mol. Its IUPAC name is 1-[4-(2-bromo-4-fluorophenyl)sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-bromo-4-fluorophenyl)sulfonylphenyl]ethanone
PubChem CID59753106
Molecular FormulaC14H10BrFO3S
Molecular Weight357.20 g/mol
Exact Mass355.95
IUPAC Name1-[4-(2-bromo-4-fluorophenyl)sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C14H10BrFO3S/c1-9(17)10-2-5-12(6-3-10)20(18,19)14-7-4-11(16)8-13(14)15/h2-8H,1H3
InChIKeyYACJKPSMJBSQOL-UHFFFAOYSA-N
XLogP3.62
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromo-4-fluorophenyl)sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-(2-bromo-4-fluorophenyl)sulfonylphenyl]ethanone (CID 59753106) is 1-[4-(2-bromo-4-fluorophenyl)sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-(2-bromo-4-fluorophenyl)sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-(2-bromo-4-fluorophenyl)sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)c2ccc(F)cc2Br)cc1.
What is the InChIKey of 1-[4-(2-bromo-4-fluorophenyl)sulfonylphenyl]ethanone?
The InChIKey is YACJKPSMJBSQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO3S/c1-9(17)10-2-5-12(6-3-10)20(18,19)14-7-4-11(16)8-13(14)15/h2-8H,1H3.
What are the key properties of 1-[4-(2-bromo-4-fluorophenyl)sulfonylphenyl]ethanone?
1-[4-(2-bromo-4-fluorophenyl)sulfonylphenyl]ethanone has a molecular weight of 357.20 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromo-4-fluorophenyl)sulfonylphenyl]ethanone is sourced from PubChem (CID 59753106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).