[5-[[2-(4-fluorophenyl)-2-hydroxyethyl]sulfonylcarbamoyl]-2-pyridinyl]methyl acetate

C17H17FN2O6S — CID 67866040

IUPAC[5-[[2-(4-fluorophenyl)-2-hydroxyethyl]sulfonylcarbamoyl]-2-pyridinyl]methyl acetate
SMILESCC(=O)OCc1ccc(C(=O)NS(=O)(=O)CC(O)c2ccc(F)cc2)cn1
InChIInChI=1S/C17H17FN2O6S/c1-11(21)26-9-15-7-4-13(8-19-15)17(23)20-27(24,25)10-16(22)12-2-5-14(18)6-3-12/h2-8,16,22H,9-10H2,1H3,(H,20,23)
InChIKeyYPVUMQWJEFMVJL-UHFFFAOYSA-N
MW396.40 g/mol
LogP1.08
Rot. Bonds7

About [5-[[2-(4-fluorophenyl)-2-hydroxyethyl]sulfonylcarbamoyl]-2-pyridinyl]methyl acetate

[5-[[2-(4-fluorophenyl)-2-hydroxyethyl]sulfonylcarbamoyl]-2-pyridinyl]methyl acetate (PubChem CID 67866040) has the molecular formula C17H17FN2O6S and a molecular weight of 396.40 g/mol. Its IUPAC name is [5-[[2-(4-fluorophenyl)-2-hydroxyethyl]sulfonylcarbamoyl]-2-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[5-[[2-(4-fluorophenyl)-2-hydroxyethyl]sulfonylcarbamoyl]-2-pyridinyl]methyl acetate
PubChem CID67866040
Molecular FormulaC17H17FN2O6S
Molecular Weight396.40 g/mol
Exact Mass396.08
IUPAC Name[5-[[2-(4-fluorophenyl)-2-hydroxyethyl]sulfonylcarbamoyl]-2-pyridinyl]methyl acetate
SMILESCC(=O)OCc1ccc(C(=O)NS(=O)(=O)CC(O)c2ccc(F)cc2)cn1
InChIInChI=1S/C17H17FN2O6S/c1-11(21)26-9-15-7-4-13(8-19-15)17(23)20-27(24,25)10-16(22)12-2-5-14(18)6-3-12/h2-8,16,22H,9-10H2,1H3,(H,20,23)
InChIKeyYPVUMQWJEFMVJL-UHFFFAOYSA-N
XLogP1.08
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[[2-(4-fluorophenyl)-2-hydroxyethyl]sulfonylcarbamoyl]-2-pyridinyl]methyl acetate?
The IUPAC name of [5-[[2-(4-fluorophenyl)-2-hydroxyethyl]sulfonylcarbamoyl]-2-pyridinyl]methyl acetate (CID 67866040) is [5-[[2-(4-fluorophenyl)-2-hydroxyethyl]sulfonylcarbamoyl]-2-pyridinyl]methyl acetate.
What is the SMILES notation for [5-[[2-(4-fluorophenyl)-2-hydroxyethyl]sulfonylcarbamoyl]-2-pyridinyl]methyl acetate?
The canonical SMILES for [5-[[2-(4-fluorophenyl)-2-hydroxyethyl]sulfonylcarbamoyl]-2-pyridinyl]methyl acetate is CC(=O)OCc1ccc(C(=O)NS(=O)(=O)CC(O)c2ccc(F)cc2)cn1.
What is the InChIKey of [5-[[2-(4-fluorophenyl)-2-hydroxyethyl]sulfonylcarbamoyl]-2-pyridinyl]methyl acetate?
The InChIKey is YPVUMQWJEFMVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O6S/c1-11(21)26-9-15-7-4-13(8-19-15)17(23)20-27(24,25)10-16(22)12-2-5-14(18)6-3-12/h2-8,16,22H,9-10H2,1H3,(H,20,23).
What are the key properties of [5-[[2-(4-fluorophenyl)-2-hydroxyethyl]sulfonylcarbamoyl]-2-pyridinyl]methyl acetate?
[5-[[2-(4-fluorophenyl)-2-hydroxyethyl]sulfonylcarbamoyl]-2-pyridinyl]methyl acetate has a molecular weight of 396.40 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-(4-fluorophenyl)-2-hydroxyethyl]sulfonylcarbamoyl]-2-pyridinyl]methyl acetate is sourced from PubChem (CID 67866040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).