1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one

C15H11Cl2FOS — CID 103039415

IUPAC1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
SMILESO=C(CSc1ccccc1Cl)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11Cl2FOS/c16-12-3-1-2-4-15(12)20-9-11(19)7-10-5-6-14(18)13(17)8-10/h1-6,8H,7,9H2
InChIKeyPIJWGGUTZOFBJO-UHFFFAOYSA-N
MW329.22 g/mol
LogP5.04
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one

1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one (PubChem CID 103039415) has the molecular formula C15H11Cl2FOS and a molecular weight of 329.22 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
PubChem CID103039415
Molecular FormulaC15H11Cl2FOS
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
SMILESO=C(CSc1ccccc1Cl)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11Cl2FOS/c16-12-3-1-2-4-15(12)20-9-11(19)7-10-5-6-14(18)13(17)8-10/h1-6,8H,7,9H2
InChIKeyPIJWGGUTZOFBJO-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

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Related Compounds

1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 66140332
1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 66142351
1-(2-chloro-5-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 102617723
1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one
CID 66141536
1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 82919916
1-tert-butylsulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 103039378
1-(2-bromo-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 66142357
1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 60976639
1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 66054204
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 107307923
1-bromo-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 131189515
1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-one
CID 103039381

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one (CID 103039415) is 1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one is O=C(CSc1ccccc1Cl)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one?
The InChIKey is PIJWGGUTZOFBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FOS/c16-12-3-1-2-4-15(12)20-9-11(19)7-10-5-6-14(18)13(17)8-10/h1-6,8H,7,9H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one?
1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)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-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one is sourced from PubChem (CID 103039415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).