3-(4-bromophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one

C15H12BrFO3S — CID 3708847

IUPAC3-(4-bromophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H12BrFO3S/c16-12-3-7-14(8-4-12)21(19,20)10-9-15(18)11-1-5-13(17)6-2-11/h1-8H,9-10H2
InChIKeyJJUIZOFYVHELNM-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.63
Rot. Bonds5

About 3-(4-bromophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one

3-(4-bromophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one (PubChem CID 3708847) has the molecular formula C15H12BrFO3S and a molecular weight of 371.23 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
PubChem CID3708847
Molecular FormulaC15H12BrFO3S
Molecular Weight371.23 g/mol
Exact Mass369.97
IUPAC Name3-(4-bromophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H12BrFO3S/c16-12-3-7-14(8-4-12)21(19,20)10-9-15(18)11-1-5-13(17)6-2-11/h1-8H,9-10H2
InChIKeyJJUIZOFYVHELNM-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 3-(4-bromophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one (CID 3708847) is 3-(4-bromophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one is O=C(CCS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one?
The InChIKey is JJUIZOFYVHELNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO3S/c16-12-3-7-14(8-4-12)21(19,20)10-9-15(18)11-1-5-13(17)6-2-11/h1-8H,9-10H2.
What are the key properties of 3-(4-bromophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one?
3-(4-bromophenyl)sulfonyl-1-(4-fluorophenyl)propan-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 3-(4-bromophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 3708847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).