[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxybenzoate

C19H20N2O6S — CID 7798198

IUPAC[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccccc1O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H20N2O6S/c22-17-9-2-1-8-16(17)19(24)27-13-18(23)20-14-6-5-7-15(12-14)28(25,26)21-10-3-4-11-21/h1-2,5-9,12,22H,3-4,10-11,13H2,(H,20,23)
InChIKeyMJJVITMZPISFME-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.97
Rot. Bonds6

About [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxybenzoate

[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxybenzoate (PubChem CID 7798198) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxybenzoate
PubChem CID7798198
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Name[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccccc1O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H20N2O6S/c22-17-9-2-1-8-16(17)19(24)27-13-18(23)20-14-6-5-7-15(12-14)28(25,26)21-10-3-4-11-21/h1-2,5-9,12,22H,3-4,10-11,13H2,(H,20,23)
InChIKeyMJJVITMZPISFME-UHFFFAOYSA-N
XLogP1.97
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxybenzoate?
The IUPAC name of [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxybenzoate (CID 7798198) is [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxybenzoate is O=C(COC(=O)c1ccccc1O)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxybenzoate?
The InChIKey is MJJVITMZPISFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c22-17-9-2-1-8-16(17)19(24)27-13-18(23)20-14-6-5-7-15(12-14)28(25,26)21-10-3-4-11-21/h1-2,5-9,12,22H,3-4,10-11,13H2,(H,20,23).
What are the key properties of [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxybenzoate?
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxybenzoate has a molecular weight of 404.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxybenzoate is sourced from PubChem (CID 7798198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).