[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

C17H16FNO5S — CID 8958204

IUPAC[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCS(=O)(=O)c1ccccc1NC(=O)COC(=O)Cc1ccccc1F
InChIInChI=1S/C17H16FNO5S/c1-25(22,23)15-9-5-4-8-14(15)19-16(20)11-24-17(21)10-12-6-2-3-7-13(12)18/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyBSGQLWQMWVHZLC-UHFFFAOYSA-N
MW365.38 g/mol
LogP1.95
Rot. Bonds6

About [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 8958204) has the molecular formula C17H16FNO5S and a molecular weight of 365.38 g/mol. Its IUPAC name is [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID8958204
Molecular FormulaC17H16FNO5S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC Name[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCS(=O)(=O)c1ccccc1NC(=O)COC(=O)Cc1ccccc1F
InChIInChI=1S/C17H16FNO5S/c1-25(22,23)15-9-5-4-8-14(15)19-16(20)11-24-17(21)10-12-6-2-3-7-13(12)18/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyBSGQLWQMWVHZLC-UHFFFAOYSA-N
XLogP1.95
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544642
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 9309760
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544721
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate
CID 7796348
[2-(2-methylsulfonylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 9310726
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 7796359
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2126349
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 8551082
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide
CID 9354637
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate
CID 8987404
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8638261
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544539

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 8958204) is [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate is CS(=O)(=O)c1ccccc1NC(=O)COC(=O)Cc1ccccc1F.
What is the InChIKey of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is BSGQLWQMWVHZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5S/c1-25(22,23)15-9-5-4-8-14(15)19-16(20)11-24-17(21)10-12-6-2-3-7-13(12)18/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 365.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 8958204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).