1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one

C15H11Cl2FOS — CID 107307923

IUPAC1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
SMILESO=C(CSc1ccccc1F)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H11Cl2FOS/c16-12-5-3-4-10(15(12)17)8-11(19)9-20-14-7-2-1-6-13(14)18/h1-7H,8-9H2
InChIKeyFUKBHELKQLBZPP-UHFFFAOYSA-N
MW329.22 g/mol
LogP5.04
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one

1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one (PubChem CID 107307923) has the molecular formula C15H11Cl2FOS and a molecular weight of 329.22 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
PubChem CID107307923
Molecular FormulaC15H11Cl2FOS
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC Name1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
SMILESO=C(CSc1ccccc1F)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H11Cl2FOS/c16-12-5-3-4-10(15(12)17)8-11(19)9-20-14-7-2-1-6-13(14)18/h1-7H,8-9H2
InChIKeyFUKBHELKQLBZPP-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.22
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-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-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 60976639
1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 60892959
1-(2-chloro-5-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 102617723
1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 66054204
1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one
CID 102857203
1-(4-bromophenyl)sulfanyl-3-(2,3-dichlorophenyl)propan-2-one
CID 107307922
1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 115983515
1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one
CID 115983513
1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 103039415
1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 66140332
1-(2-bromo-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 66142357
[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
CID 8977409

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one (CID 107307923) is 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one is O=C(CSc1ccccc1F)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one?
The InChIKey is FUKBHELKQLBZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FOS/c16-12-5-3-4-10(15(12)17)8-11(19)9-20-14-7-2-1-6-13(14)18/h1-7H,8-9H2.
What are the key properties of 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one?
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one has a molecular weight of 329.22 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one is sourced from PubChem (CID 107307923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).