4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

C23H25N5O6S2 — CID 4155211

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc2)CC(C)O1
InChIInChI=1S/C23H25N5O6S2/c1-16-14-28(15-17(2)34-16)36(32,33)21-8-4-18(5-9-21)22(29)26-19-6-10-20(11-7-19)35(30,31)27-23-24-12-3-13-25-23/h3-13,16-17H,14-15H2,1-2H3,(H,26,29)(H,24,25,27)
InChIKeyNSUYAXUBKNNXTB-UHFFFAOYSA-N
MW531.62 g/mol
LogP2.33
Rot. Bonds7

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 4155211) has the molecular formula C23H25N5O6S2 and a molecular weight of 531.62 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID4155211
Molecular FormulaC23H25N5O6S2
Molecular Weight531.62 g/mol
Exact Mass531.12
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc2)CC(C)O1
InChIInChI=1S/C23H25N5O6S2/c1-16-14-28(15-17(2)34-16)36(32,33)21-8-4-18(5-9-21)22(29)26-19-6-10-20(11-7-19)35(30,31)27-23-24-12-3-13-25-23/h3-13,16-17H,14-15H2,1-2H3,(H,26,29)(H,24,25,27)
InChIKeyNSUYAXUBKNNXTB-UHFFFAOYSA-N
XLogP2.33
TPSA147.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.62
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide 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 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CID 4155211) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc2)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is NSUYAXUBKNNXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O6S2/c1-16-14-28(15-17(2)34-16)36(32,33)21-8-4-18(5-9-21)22(29)26-19-6-10-20(11-7-19)35(30,31)27-23-24-12-3-13-25-23/h3-13,16-17H,14-15H2,1-2H3,(H,26,29)(H,24,25,27).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 531.62 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 4155211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).