2,4,5-trimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

C20H20N4O6S — CID 1246444

IUPAC2,4,5-trimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC
InChIInChI=1S/C20H20N4O6S/c1-28-16-12-18(30-3)17(29-2)11-15(16)19(25)23-13-5-7-14(8-6-13)31(26,27)24-20-21-9-4-10-22-20/h4-12H,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyRVKFHQUOVGYSQJ-UHFFFAOYSA-N
MW444.47 g/mol
LogP2.56
Rot. Bonds8

About 2,4,5-trimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

2,4,5-trimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1246444) has the molecular formula C20H20N4O6S and a molecular weight of 444.47 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1246444
Molecular FormulaC20H20N4O6S
Molecular Weight444.47 g/mol
Exact Mass444.11
IUPAC Name2,4,5-trimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC
InChIInChI=1S/C20H20N4O6S/c1-28-16-12-18(30-3)17(29-2)11-15(16)19(25)23-13-5-7-14(8-6-13)31(26,27)24-20-21-9-4-10-22-20/h4-12H,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyRVKFHQUOVGYSQJ-UHFFFAOYSA-N
XLogP2.56
TPSA128.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CID 1246444) is 2,4,5-trimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is COc1cc(OC)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is RVKFHQUOVGYSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6S/c1-28-16-12-18(30-3)17(29-2)11-15(16)19(25)23-13-5-7-14(8-6-13)31(26,27)24-20-21-9-4-10-22-20/h4-12H,1-3H3,(H,23,25)(H,21,22,24).
What are the key properties of 2,4,5-trimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
2,4,5-trimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 444.47 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1246444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).