1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one

C15H11ClF2OS — CID 43224788

IUPAC1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one
SMILESCC(Sc1ccc(F)cc1F)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF2OS/c1-9(15(19)10-2-4-11(16)5-3-10)20-14-7-6-12(17)8-13(14)18/h2-9H,1H3
InChIKeyNYDYDTKWMFJLLW-UHFFFAOYSA-N
MW312.77 g/mol
LogP4.98
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one

1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one (PubChem CID 43224788) has the molecular formula C15H11ClF2OS and a molecular weight of 312.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one
PubChem CID43224788
Molecular FormulaC15H11ClF2OS
Molecular Weight312.77 g/mol
Exact Mass312.02
IUPAC Name1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one
SMILESCC(Sc1ccc(F)cc1F)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF2OS/c1-9(15(19)10-2-4-11(16)5-3-10)20-14-7-6-12(17)8-13(14)18/h2-9H,1H3
InChIKeyNYDYDTKWMFJLLW-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide
CID 8837256
2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43224877
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one
CID 43414073
(2S)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 9046479
1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one
CID 43412024
2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43224881
N-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 55387332
2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43413028
1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one
CID 114000854
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide
CID 9046418
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide
CID 8975115

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one (CID 43224788) is 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one is CC(Sc1ccc(F)cc1F)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one?
The InChIKey is NYDYDTKWMFJLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2OS/c1-9(15(19)10-2-4-11(16)5-3-10)20-14-7-6-12(17)8-13(14)18/h2-9H,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one?
1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one has a molecular weight of 312.77 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one is sourced from PubChem (CID 43224788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).