[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate

C19H20N2O7S — CID 5213203

IUPAC[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20N2O7S/c22-16-5-1-14(2-6-16)19(24)28-13-18(23)20-15-3-7-17(8-4-15)29(25,26)21-9-11-27-12-10-21/h1-8,22H,9-13H2,(H,20,23)
InChIKeyVFVGBPPUBBXFPM-UHFFFAOYSA-N
MW420.44 g/mol
LogP1.21
Rot. Bonds6

About [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 5213203) has the molecular formula C19H20N2O7S and a molecular weight of 420.44 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate
PubChem CID5213203
Molecular FormulaC19H20N2O7S
Molecular Weight420.44 g/mol
Exact Mass420.10
IUPAC Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20N2O7S/c22-16-5-1-14(2-6-16)19(24)28-13-18(23)20-15-3-7-17(8-4-15)29(25,26)21-9-11-27-12-10-21/h1-8,22H,9-13H2,(H,20,23)
InChIKeyVFVGBPPUBBXFPM-UHFFFAOYSA-N
XLogP1.21
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate (CID 5213203) is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is VFVGBPPUBBXFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O7S/c22-16-5-1-14(2-6-16)19(24)28-13-18(23)20-15-3-7-17(8-4-15)29(25,26)21-9-11-27-12-10-21/h1-8,22H,9-13H2,(H,20,23).
What are the key properties of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate?
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate has a molecular weight of 420.44 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate is sourced from PubChem (CID 5213203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).