1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfinylethanone

C14H9Cl2FO2S — CID 64637233

IUPAC1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfinylethanone
SMILESO=C(CS(=O)c1ccc(F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2FO2S/c15-9-1-6-12(13(16)7-9)14(18)8-20(19)11-4-2-10(17)3-5-11/h1-7H,8H2
InChIKeyUDAULUSAGZSKDG-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.12
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfinylethanone

1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfinylethanone (PubChem CID 64637233) has the molecular formula C14H9Cl2FO2S and a molecular weight of 331.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfinylethanone
PubChem CID64637233
Molecular FormulaC14H9Cl2FO2S
Molecular Weight331.20 g/mol
Exact Mass329.97
IUPAC Name1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfinylethanone
SMILESO=C(CS(=O)c1ccc(F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2FO2S/c15-9-1-6-12(13(16)7-9)14(18)8-20(19)11-4-2-10(17)3-5-11/h1-7H,8H2
InChIKeyUDAULUSAGZSKDG-UHFFFAOYSA-N
XLogP4.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfinylethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfinylethanone (CID 64637233) is 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfinylethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfinylethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfinylethanone is O=C(CS(=O)c1ccc(F)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfinylethanone?
The InChIKey is UDAULUSAGZSKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO2S/c15-9-1-6-12(13(16)7-9)14(18)8-20(19)11-4-2-10(17)3-5-11/h1-7H,8H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfinylethanone?
1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfinylethanone has a molecular weight of 331.20 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfinylethanone is sourced from PubChem (CID 64637233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).