4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide

C26H20ClF3N4O3S — CID 68655907

About 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide (PubChem CID 68655907) has the molecular formula C26H20ClF3N4O3S and a molecular weight of 560.99 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide.

Molecular Properties

• Compound Name: 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
• PubChem CID: 68655907
• Molecular Formula: C26H20ClF3N4O3S
• Molecular Weight: 560.99 g/mol
• Exact Mass: 560.09
• IUPAC Name: 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
• SMILES: CS(=O)(=O)N1CCc2cc(NC(=O)c3ccc(-c4cc(C(F)(F)F)nn4-c4ccccc4Cl)cc3)ccc21
• InChI: InChI=1S/C26H20ClF3N4O3S/c1-38(36,37)33-13-12-18-14-19(10-11-21(18)33)31-25(35)17-8-6-16(7-9-17)23-15-24(26(28,29)30)32-34(23)22-5-3-2-4-20(22)27/h2-11,14-15H,12-13H2,1H3,(H,31,35)
• InChIKey: YIAKNNGTNHRPQX-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.99
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide?

The IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide (CID 68655907) is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide.

What is the SMILES notation for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide?

The canonical SMILES for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide is CS(=O)(=O)N1CCc2cc(NC(=O)c3ccc(-c4cc(C(F)(F)F)nn4-c4ccccc4Cl)cc3)ccc21.

What is the InChIKey of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide?

The InChIKey is YIAKNNGTNHRPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF3N4O3S/c1-38(36,37)33-13-12-18-14-19(10-11-21(18)33)31-25(35)17-8-6-16(7-9-17)23-15-24(26(28,29)30)32-34(23)22-5-3-2-4-20(22)27/h2-11,14-15H,12-13H2,1H3,(H,31,35).

What are the key properties of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide?

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide has a molecular weight of 560.99 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide is sourced from PubChem (CID 68655907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).