6-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-2-sulfamoyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C24H19ClF3N5O5S2 — CID 70942169

About 6-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-2-sulfamoyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

6-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-2-sulfamoyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 70942169) has the molecular formula C24H19ClF3N5O5S2 and a molecular weight of 614.03 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-2-sulfamoyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 6-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-2-sulfamoyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
• PubChem CID: 70942169
• Molecular Formula: C24H19ClF3N5O5S2
• Molecular Weight: 614.03 g/mol
• Exact Mass: 613.05
• IUPAC Name: 6-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-2-sulfamoyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
• SMILES: NS(=O)(=O)c1cc2nc(C(=O)NC3CCS(=O)(=O)C3)c(-c3ccccc3Cl)c(-c3ccc(C(F)(F)F)cc3)n2n1
• InChI: InChI=1S/C24H19ClF3N5O5S2/c25-17-4-2-1-3-16(17)20-21(23(34)30-15-9-10-39(35,36)12-15)31-18-11-19(40(29,37)38)32-33(18)22(20)13-5-7-14(8-6-13)24(26,27)28/h1-8,11,15H,9-10,12H2,(H,30,34)(H2,29,37,38)
• InChIKey: DWXSRSFKBLTPTJ-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 153.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	614.03
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-2-sulfamoyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The IUPAC name of 6-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-2-sulfamoyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 70942169) is 6-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-2-sulfamoyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

What is the SMILES notation for 6-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-2-sulfamoyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The canonical SMILES for 6-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-2-sulfamoyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is NS(=O)(=O)c1cc2nc(C(=O)NC3CCS(=O)(=O)C3)c(-c3ccccc3Cl)c(-c3ccc(C(F)(F)F)cc3)n2n1.

What is the InChIKey of 6-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-2-sulfamoyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The InChIKey is DWXSRSFKBLTPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N5O5S2/c25-17-4-2-1-3-16(17)20-21(23(34)30-15-9-10-39(35,36)12-15)31-18-11-19(40(29,37)38)32-33(18)22(20)13-5-7-14(8-6-13)24(26,27)28/h1-8,11,15H,9-10,12H2,(H,30,34)(H2,29,37,38).

What are the key properties of 6-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-2-sulfamoyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?

6-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-2-sulfamoyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 614.03 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-2-sulfamoyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 70942169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).