1-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropan-1-one

C15H12BrFO3S — CID 3286828

IUPAC1-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrFO3S/c16-12-3-1-11(2-4-12)15(18)9-10-21(19,20)14-7-5-13(17)6-8-14/h1-8H,9-10H2
InChIKeyIZBLUPZJYHPCIS-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.63
Rot. Bonds5

About 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropan-1-one

1-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropan-1-one (PubChem CID 3286828) has the molecular formula C15H12BrFO3S and a molecular weight of 371.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropan-1-one
PubChem CID3286828
Molecular FormulaC15H12BrFO3S
Molecular Weight371.23 g/mol
Exact Mass369.97
IUPAC Name1-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrFO3S/c16-12-3-1-11(2-4-12)15(18)9-10-21(19,20)14-7-5-13(17)6-8-14/h1-8H,9-10H2
InChIKeyIZBLUPZJYHPCIS-UHFFFAOYSA-N
XLogP3.63
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropan-1-one (CID 3286828) is 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropan-1-one is O=C(CCS(=O)(=O)c1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropan-1-one?
The InChIKey is IZBLUPZJYHPCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO3S/c16-12-3-1-11(2-4-12)15(18)9-10-21(19,20)14-7-5-13(17)6-8-14/h1-8H,9-10H2.
What are the key properties of 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropan-1-one?
1-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropan-1-one has a molecular weight of 371.23 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropan-1-one is sourced from PubChem (CID 3286828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).