2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one

C15H12BrFOS — CID 43232305

IUPAC2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one
SMILESCC(Sc1ccccc1Br)C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12BrFOS/c1-10(19-14-5-3-2-4-13(14)16)15(18)11-6-8-12(17)9-7-11/h2-10H,1H3
InChIKeyLYRRMNBAPZJQIT-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.95
Rot. Bonds4

About 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one

2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one (PubChem CID 43232305) has the molecular formula C15H12BrFOS and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one
PubChem CID43232305
Molecular FormulaC15H12BrFOS
Molecular Weight339.23 g/mol
Exact Mass337.98
IUPAC Name2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one
SMILESCC(Sc1ccccc1Br)C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12BrFOS/c1-10(19-14-5-3-2-4-13(14)16)15(18)11-6-8-12(17)9-7-11/h2-10H,1H3
InChIKeyLYRRMNBAPZJQIT-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one 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

1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one
CID 43412024
2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43232307
(2S)-1-(4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropan-1-one
CID 93040180
N-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide
CID 24527802
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one
CID 78761229
1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one
CID 43224788
2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43224877
1-(4-fluorophenyl)-2-(1H-imidazol-2-ylsulfanyl)propan-1-one
CID 103705487
(2R)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one
CID 8706618
1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide
CID 158795498
3-ethyl-2-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 7876084
1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one
CID 43218364

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one (CID 43232305) is 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one is CC(Sc1ccccc1Br)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one?
The InChIKey is LYRRMNBAPZJQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFOS/c1-10(19-14-5-3-2-4-13(14)16)15(18)11-6-8-12(17)9-7-11/h2-10H,1H3.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one?
2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one has a molecular weight of 339.23 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 43232305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).