3,5-dimethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide

C20H19N3O5S — CID 1078178

IUPAC3,5-dimethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1
InChIInChI=1S/C20H19N3O5S/c1-27-16-11-14(12-17(13-16)28-2)20(24)22-15-6-8-18(9-7-15)29(25,26)23-19-5-3-4-10-21-19/h3-13H,1-2H3,(H,21,23)(H,22,24)
InChIKeyZLYDTEGMDVYEEY-UHFFFAOYSA-N
MW413.46 g/mol
LogP3.15
Rot. Bonds7

About 3,5-dimethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide

3,5-dimethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1078178) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1078178
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name3,5-dimethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1
InChIInChI=1S/C20H19N3O5S/c1-27-16-11-14(12-17(13-16)28-2)20(24)22-15-6-8-18(9-7-15)29(25,26)23-19-5-3-4-10-21-19/h3-13H,1-2H3,(H,21,23)(H,22,24)
InChIKeyZLYDTEGMDVYEEY-UHFFFAOYSA-N
XLogP3.15
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide (CID 1078178) is 3,5-dimethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is ZLYDTEGMDVYEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-27-16-11-14(12-17(13-16)28-2)20(24)22-15-6-8-18(9-7-15)29(25,26)23-19-5-3-4-10-21-19/h3-13H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3,5-dimethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
3,5-dimethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 413.46 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1078178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).