5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide

C22H16Cl2N4O5S — CID 19456853

About 5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide

5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 19456853) has the molecular formula C22H16Cl2N4O5S and a molecular weight of 519.37 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
• PubChem CID: 19456853
• Molecular Formula: C22H16Cl2N4O5S
• Molecular Weight: 519.37 g/mol
• Exact Mass: 518.02
• IUPAC Name: 5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
• SMILES: O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(COc2ccc(Cl)cc2Cl)o1
• InChI: InChI=1S/C22H16Cl2N4O5S/c23-14-2-8-19(18(24)12-14)32-13-16-5-9-20(33-16)21(29)27-15-3-6-17(7-4-15)34(30,31)28-22-25-10-1-11-26-22/h1-12H,13H2,(H,27,29)(H,25,26,28)
• InChIKey: LDOPUDFTQQWAEH-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 123.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.37
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?

The IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide (CID 19456853) is 5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide.

What is the SMILES notation for 5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?

The canonical SMILES for 5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(COc2ccc(Cl)cc2Cl)o1.

What is the InChIKey of 5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?

The InChIKey is LDOPUDFTQQWAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O5S/c23-14-2-8-19(18(24)12-14)32-13-16-5-9-20(33-16)21(29)27-15-3-6-17(7-4-15)34(30,31)28-22-25-10-1-11-26-22/h1-12H,13H2,(H,27,29)(H,25,26,28).

What are the key properties of 5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?

5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 519.37 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 19456853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).