[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,6-difluorobenzoate

C20H20F2N2O5S — CID 4802837

IUPAC[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,6-difluorobenzoate
SMILESO=C(COC(=O)c1c(F)cccc1F)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H20F2N2O5S/c21-16-8-5-9-17(22)19(16)20(26)29-13-18(25)23-14-6-4-7-15(12-14)30(27,28)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13H2,(H,23,25)
InChIKeyVQPFDLNPNDUEBE-UHFFFAOYSA-N
MW438.45 g/mol
LogP2.93
Rot. Bonds6

About [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,6-difluorobenzoate

[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,6-difluorobenzoate (PubChem CID 4802837) has the molecular formula C20H20F2N2O5S and a molecular weight of 438.45 g/mol. Its IUPAC name is [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,6-difluorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,6-difluorobenzoate
PubChem CID4802837
Molecular FormulaC20H20F2N2O5S
Molecular Weight438.45 g/mol
Exact Mass438.11
IUPAC Name[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,6-difluorobenzoate
SMILESO=C(COC(=O)c1c(F)cccc1F)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H20F2N2O5S/c21-16-8-5-9-17(22)19(16)20(26)29-13-18(25)23-14-6-4-7-15(12-14)30(27,28)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13H2,(H,23,25)
InChIKeyVQPFDLNPNDUEBE-UHFFFAOYSA-N
XLogP2.93
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,6-difluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,6-difluorobenzoate?
The IUPAC name of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,6-difluorobenzoate (CID 4802837) is [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,6-difluorobenzoate.
What is the SMILES notation for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,6-difluorobenzoate?
The canonical SMILES for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,6-difluorobenzoate is O=C(COC(=O)c1c(F)cccc1F)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,6-difluorobenzoate?
The InChIKey is VQPFDLNPNDUEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O5S/c21-16-8-5-9-17(22)19(16)20(26)29-13-18(25)23-14-6-4-7-15(12-14)30(27,28)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13H2,(H,23,25).
What are the key properties of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,6-difluorobenzoate?
[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,6-difluorobenzoate has a molecular weight of 438.45 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,6-difluorobenzoate is sourced from PubChem (CID 4802837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).