[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-hydroxybenzoate

C20H21NO6S — CID 2640327

IUPAC[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H21NO6S/c22-17-8-4-16(5-9-17)20(24)27-14-19(23)15-6-10-18(11-7-15)28(25,26)21-12-2-1-3-13-21/h4-11,22H,1-3,12-14H2
InChIKeyQPVMKUQRJKJKEO-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.61
Rot. Bonds6

About [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-hydroxybenzoate

[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-hydroxybenzoate (PubChem CID 2640327) has the molecular formula C20H21NO6S and a molecular weight of 403.46 g/mol. Its IUPAC name is [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-hydroxybenzoate
PubChem CID2640327
Molecular FormulaC20H21NO6S
Molecular Weight403.46 g/mol
Exact Mass403.11
IUPAC Name[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H21NO6S/c22-17-8-4-16(5-9-17)20(24)27-14-19(23)15-6-10-18(11-7-15)28(25,26)21-12-2-1-3-13-21/h4-11,22H,1-3,12-14H2
InChIKeyQPVMKUQRJKJKEO-UHFFFAOYSA-N
XLogP2.61
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-hydroxybenzoate?
The IUPAC name of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-hydroxybenzoate (CID 2640327) is [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-hydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-hydroxybenzoate?
The InChIKey is QPVMKUQRJKJKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6S/c22-17-8-4-16(5-9-17)20(24)27-14-19(23)15-6-10-18(11-7-15)28(25,26)21-12-2-1-3-13-21/h4-11,22H,1-3,12-14H2.
What are the key properties of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-hydroxybenzoate?
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-hydroxybenzoate has a molecular weight of 403.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-hydroxybenzoate is sourced from PubChem (CID 2640327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).