4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

C21H19N5O4S — CID 2087860

IUPAC4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H19N5O4S/c27-19-3-1-14-26(19)17-8-4-15(5-9-17)20(28)24-16-6-10-18(11-7-16)31(29,30)25-21-22-12-2-13-23-21/h2,4-13H,1,3,14H2,(H,24,28)(H,22,23,25)
InChIKeyAXOLRFISQQOWBE-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.66
Rot. Bonds6

About 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 2087860) has the molecular formula C21H19N5O4S and a molecular weight of 437.48 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID2087860
Molecular FormulaC21H19N5O4S
Molecular Weight437.48 g/mol
Exact Mass437.12
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H19N5O4S/c27-19-3-1-14-26(19)17-8-4-15(5-9-17)20(28)24-16-6-10-18(11-7-16)31(29,30)25-21-22-12-2-13-23-21/h2,4-13H,1,3,14H2,(H,24,28)(H,22,23,25)
InChIKeyAXOLRFISQQOWBE-UHFFFAOYSA-N
XLogP2.66
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CID 2087860) is 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is AXOLRFISQQOWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S/c27-19-3-1-14-26(19)17-8-4-15(5-9-17)20(28)24-16-6-10-18(11-7-16)31(29,30)25-21-22-12-2-13-23-21/h2,4-13H,1,3,14H2,(H,24,28)(H,22,23,25).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 437.48 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 2087860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).