1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one

C15H11Cl3OS — CID 43414073

IUPAC1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one
SMILESCC(Sc1cc(Cl)ccc1Cl)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl3OS/c1-9(15(19)10-2-4-11(16)5-3-10)20-14-8-12(17)6-7-13(14)18/h2-9H,1H3
InChIKeyOUGFSWNZMHWYPR-UHFFFAOYSA-N
MW345.68 g/mol
LogP6.01
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one

1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one (PubChem CID 43414073) has the molecular formula C15H11Cl3OS and a molecular weight of 345.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one
PubChem CID43414073
Molecular FormulaC15H11Cl3OS
Molecular Weight345.68 g/mol
Exact Mass343.96
IUPAC Name1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one
SMILESCC(Sc1cc(Cl)ccc1Cl)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl3OS/c1-9(15(19)10-2-4-11(16)5-3-10)20-14-8-12(17)6-7-13(14)18/h2-9H,1H3
InChIKeyOUGFSWNZMHWYPR-UHFFFAOYSA-N
XLogP6.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.68
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one
CID 43224788
2-(2,5-dichlorophenyl)sulfanylpentan-3-one
CID 60975325
2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43413028
(2S)-N-tert-butyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 8736537
1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one
CID 114000854
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 8736586
2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43224877
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
CID 7870527
2-(2,5-dichlorophenyl)sulfanyl-N-(3-hydroxybutyl)propanamide
CID 111433355
1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one
CID 43801868
(2R)-1-(4-chlorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-one
CID 8535342
(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 7870552

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one (CID 43414073) is 1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one is CC(Sc1cc(Cl)ccc1Cl)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one?
The InChIKey is OUGFSWNZMHWYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3OS/c1-9(15(19)10-2-4-11(16)5-3-10)20-14-8-12(17)6-7-13(14)18/h2-9H,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one?
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one has a molecular weight of 345.68 g/mol, XLogP of 6.01, 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-(2,5-dichlorophenyl)sulfanylpropan-1-one is sourced from PubChem (CID 43414073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).