1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylethanone

C16H12F2O4S — CID 135087005

IUPAC1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylethanone
SMILESO=C(CS(=O)(=O)CC(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H12F2O4S/c17-13-5-1-11(2-6-13)15(19)9-23(21,22)10-16(20)12-3-7-14(18)8-4-12/h1-8H,9-10H2
InChIKeyQQLWNBAQFAHAEU-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.45
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylethanone

1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylethanone (PubChem CID 135087005) has the molecular formula C16H12F2O4S and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylethanone
PubChem CID135087005
Molecular FormulaC16H12F2O4S
Molecular Weight338.33 g/mol
Exact Mass338.04
IUPAC Name1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylethanone
SMILESO=C(CS(=O)(=O)CC(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H12F2O4S/c17-13-5-1-11(2-6-13)15(19)9-23(21,22)10-16(20)12-3-7-14(18)8-4-12/h1-8H,9-10H2
InChIKeyQQLWNBAQFAHAEU-UHFFFAOYSA-N
XLogP2.45
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylethanone (CID 135087005) is 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylethanone is O=C(CS(=O)(=O)CC(=O)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylethanone?
The InChIKey is QQLWNBAQFAHAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O4S/c17-13-5-1-11(2-6-13)15(19)9-23(21,22)10-16(20)12-3-7-14(18)8-4-12/h1-8H,9-10H2.
What are the key properties of 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylethanone?
1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylethanone has a molecular weight of 338.33 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylethanone is sourced from PubChem (CID 135087005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).