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

C25H23Cl2N5O5S2 — CID 67272797

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

6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67272797) has the molecular formula C25H23Cl2N5O5S2 and a molecular weight of 608.53 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 67272797
• Molecular Formula: C25H23Cl2N5O5S2
• Molecular Weight: 608.53 g/mol
• Exact Mass: 607.05
• IUPAC Name: 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN(C)S(=O)(=O)c1nn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc2c1C(=O)N[C@@H]1CCS(=O)(=O)C1
• InChI: InChI=1S/C25H23Cl2N5O5S2/c1-31(2)39(36,37)25-21(24(33)29-17-11-12-38(34,35)14-17)23-28-13-19(18-5-3-4-6-20(18)27)22(32(23)30-25)15-7-9-16(26)10-8-15/h3-10,13,17H,11-12,14H2,1-2H3,(H,29,33)/t17-/m1/s1
• InChIKey: LVMJNAHRSQDZGC-QGZVFWFLSA-N
• XLogP: 3.54
• TPSA: 130.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	608.53
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67272797) is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)S(=O)(=O)c1nn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc2c1C(=O)N[C@@H]1CCS(=O)(=O)C1.

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

The InChIKey is LVMJNAHRSQDZGC-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H23Cl2N5O5S2/c1-31(2)39(36,37)25-21(24(33)29-17-11-12-38(34,35)14-17)23-28-13-19(18-5-3-4-6-20(18)27)22(32(23)30-25)15-7-9-16(26)10-8-15/h3-10,13,17H,11-12,14H2,1-2H3,(H,29,33)/t17-/m1/s1.

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

6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 608.53 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67272797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).