2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfonylacetamide

C11H12FNO4S — CID 114232176

IUPAC2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfonylacetamide
SMILESCC(C(=O)c1ccc(F)cc1)S(=O)(=O)CC(N)=O
InChIInChI=1S/C11H12FNO4S/c1-7(18(16,17)6-10(13)14)11(15)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H2,13,14)
InChIKeyBIAIRLXNZCFHCA-UHFFFAOYSA-N
MW273.28 g/mol
LogP0.30
Rot. Bonds5

About 2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfonylacetamide

2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfonylacetamide (PubChem CID 114232176) has the molecular formula C11H12FNO4S and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfonylacetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfonylacetamide
PubChem CID114232176
Molecular FormulaC11H12FNO4S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfonylacetamide
SMILESCC(C(=O)c1ccc(F)cc1)S(=O)(=O)CC(N)=O
InChIInChI=1S/C11H12FNO4S/c1-7(18(16,17)6-10(13)14)11(15)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H2,13,14)
InChIKeyBIAIRLXNZCFHCA-UHFFFAOYSA-N
XLogP0.30
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfonylacetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfonylacetamide (CID 114232176) is 2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfonylacetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfonylacetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfonylacetamide is CC(C(=O)c1ccc(F)cc1)S(=O)(=O)CC(N)=O.
What is the InChIKey of 2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfonylacetamide?
The InChIKey is BIAIRLXNZCFHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4S/c1-7(18(16,17)6-10(13)14)11(15)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H2,13,14).
What are the key properties of 2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfonylacetamide?
2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfonylacetamide has a molecular weight of 273.28 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfonylacetamide is sourced from PubChem (CID 114232176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).