3-phenyl-1-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]propane-1-sulfonamide

C26H27F3N4O3S — CID 172853405

About 3-phenyl-1-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]propane-1-sulfonamide

3-phenyl-1-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]propane-1-sulfonamide (PubChem CID 172853405) has the molecular formula C26H27F3N4O3S and a molecular weight of 532.59 g/mol. Its IUPAC name is 3-phenyl-1-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: 3-phenyl-1-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]propane-1-sulfonamide
• PubChem CID: 172853405
• Molecular Formula: C26H27F3N4O3S
• Molecular Weight: 532.59 g/mol
• Exact Mass: 532.18
• IUPAC Name: 3-phenyl-1-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]propane-1-sulfonamide
• SMILES: NS(=O)(=O)C(CCc1ccccc1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1
• InChI: InChI=1S/C26H27F3N4O3S/c27-26(28,29)22-9-5-4-8-21(22)25(34)33-16-14-32(15-17-33)20-11-12-23(31-18-20)24(37(30,35)36)13-10-19-6-2-1-3-7-19/h1-9,11-12,18,24H,10,13-17H2,(H2,30,35,36)
• InChIKey: YJJMKXMXAWUIIF-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 96.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.59
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]propane-1-sulfonamide?

The IUPAC name of 3-phenyl-1-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]propane-1-sulfonamide (CID 172853405) is 3-phenyl-1-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]propane-1-sulfonamide.

What is the SMILES notation for 3-phenyl-1-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]propane-1-sulfonamide?

The canonical SMILES for 3-phenyl-1-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]propane-1-sulfonamide is NS(=O)(=O)C(CCc1ccccc1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1.

What is the InChIKey of 3-phenyl-1-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]propane-1-sulfonamide?

The InChIKey is YJJMKXMXAWUIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O3S/c27-26(28,29)22-9-5-4-8-21(22)25(34)33-16-14-32(15-17-33)20-11-12-23(31-18-20)24(37(30,35)36)13-10-19-6-2-1-3-7-19/h1-9,11-12,18,24H,10,13-17H2,(H2,30,35,36).

What are the key properties of 3-phenyl-1-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]propane-1-sulfonamide?

3-phenyl-1-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]propane-1-sulfonamide has a molecular weight of 532.59 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-1-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 172853405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).