2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide

C20H16ClN5O4S2 — CID 19507330

About 2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide

2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide (PubChem CID 19507330) has the molecular formula C20H16ClN5O4S2 and a molecular weight of 489.97 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
• PubChem CID: 19507330
• Molecular Formula: C20H16ClN5O4S2
• Molecular Weight: 489.97 g/mol
• Exact Mass: 489.03
• IUPAC Name: 2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
• SMILES: O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccnn1COc1ccc(Cl)cc1
• InChI: InChI=1S/C20H16ClN5O4S2/c21-14-1-5-16(6-2-14)30-13-26-18(9-10-23-26)19(27)24-15-3-7-17(8-4-15)32(28,29)25-20-22-11-12-31-20/h1-12H,13H2,(H,22,25)(H,24,27)
• InChIKey: LXCWIRQJHVXEST-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 115.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.97
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?

The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide (CID 19507330) is 2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide.

What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?

The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccnn1COc1ccc(Cl)cc1.

What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?

The InChIKey is LXCWIRQJHVXEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O4S2/c21-14-1-5-16(6-2-14)30-13-26-18(9-10-23-26)19(27)24-15-3-7-17(8-4-15)32(28,29)25-20-22-11-12-31-20/h1-12H,13H2,(H,22,25)(H,24,27).

What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?

2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 489.97 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19507330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).