2-[(4-fluorophenyl)methylsulfonyl]-1-phenylethanone

C15H13FO3S — CID 11243300

IUPAC2-[(4-fluorophenyl)methylsulfonyl]-1-phenylethanone
SMILESO=C(CS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H13FO3S/c16-14-8-6-12(7-9-14)10-20(18,19)11-15(17)13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyZLDZPNJZGHULAM-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.62
Rot. Bonds5

About 2-[(4-fluorophenyl)methylsulfonyl]-1-phenylethanone

2-[(4-fluorophenyl)methylsulfonyl]-1-phenylethanone (PubChem CID 11243300) has the molecular formula C15H13FO3S and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfonyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfonyl]-1-phenylethanone
PubChem CID11243300
Molecular FormulaC15H13FO3S
Molecular Weight292.33 g/mol
Exact Mass292.06
IUPAC Name2-[(4-fluorophenyl)methylsulfonyl]-1-phenylethanone
SMILESO=C(CS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H13FO3S/c16-14-8-6-12(7-9-14)10-20(18,19)11-15(17)13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyZLDZPNJZGHULAM-UHFFFAOYSA-N
XLogP2.62
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfonyl]-1-phenylethanone?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfonyl]-1-phenylethanone (CID 11243300) is 2-[(4-fluorophenyl)methylsulfonyl]-1-phenylethanone.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfonyl]-1-phenylethanone?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfonyl]-1-phenylethanone is O=C(CS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfonyl]-1-phenylethanone?
The InChIKey is ZLDZPNJZGHULAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3S/c16-14-8-6-12(7-9-14)10-20(18,19)11-15(17)13-4-2-1-3-5-13/h1-9H,10-11H2.
What are the key properties of 2-[(4-fluorophenyl)methylsulfonyl]-1-phenylethanone?
2-[(4-fluorophenyl)methylsulfonyl]-1-phenylethanone has a molecular weight of 292.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfonyl]-1-phenylethanone is sourced from PubChem (CID 11243300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).