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

C19H18N4O5S — CID 1072404

IUPAC3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1
InChIInChI=1S/C19H18N4O5S/c1-27-15-10-13(11-16(12-15)28-2)18(24)22-14-4-6-17(7-5-14)29(25,26)23-19-20-8-3-9-21-19/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyBMUWWJAHVAUEQS-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.55
Rot. Bonds7

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

3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1072404) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1072404
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Name3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1
InChIInChI=1S/C19H18N4O5S/c1-27-15-10-13(11-16(12-15)28-2)18(24)22-14-4-6-17(7-5-14)29(25,26)23-19-20-8-3-9-21-19/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyBMUWWJAHVAUEQS-UHFFFAOYSA-N
XLogP2.55
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CID 1072404) is 3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is BMUWWJAHVAUEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S/c1-27-15-10-13(11-16(12-15)28-2)18(24)22-14-4-6-17(7-5-14)29(25,26)23-19-20-8-3-9-21-19/h3-12H,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of 3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 414.44 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1072404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).