2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone

C14H9Cl2FOS — CID 43414111

IUPAC2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone
SMILESO=C(CSc1cc(Cl)ccc1Cl)c1ccccc1F
InChIInChI=1S/C14H9Cl2FOS/c15-9-5-6-11(16)14(7-9)19-8-13(18)10-3-1-2-4-12(10)17/h1-7H,8H2
InChIKeyXRAWMMQGHDGDAQ-UHFFFAOYSA-N
MW315.20 g/mol
LogP5.11
Rot. Bonds4

About 2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone

2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone (PubChem CID 43414111) has the molecular formula C14H9Cl2FOS and a molecular weight of 315.20 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone
PubChem CID43414111
Molecular FormulaC14H9Cl2FOS
Molecular Weight315.20 g/mol
Exact Mass313.97
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone
SMILESO=C(CSc1cc(Cl)ccc1Cl)c1ccccc1F
InChIInChI=1S/C14H9Cl2FOS/c15-9-5-6-11(16)14(7-9)19-8-13(18)10-3-1-2-4-12(10)17/h1-7H,8H2
InChIKeyXRAWMMQGHDGDAQ-UHFFFAOYSA-N
XLogP5.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.20
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 24641164
2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 2536490
2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone
CID 54255060
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)ethanone
CID 23768615
1-(5-chlorothiophen-2-yl)-2-(2,5-dichlorophenyl)sulfanylethanone
CID 43414112
2-(2,5-dichlorophenoxy)-1-(2-fluorophenyl)ethanone
CID 60623205
2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone
CID 43218405
2-(2,5-dichlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 43414058
5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331
N-[2-[2-(2,5-dichlorophenyl)sulfanylpropanoylamino]ethyl]-2-fluorobenzamide
CID 55974574
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7870470

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone (CID 43414111) is 2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone is O=C(CSc1cc(Cl)ccc1Cl)c1ccccc1F.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone?
The InChIKey is XRAWMMQGHDGDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FOS/c15-9-5-6-11(16)14(7-9)19-8-13(18)10-3-1-2-4-12(10)17/h1-7H,8H2.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone?
2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone has a molecular weight of 315.20 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 43414111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).