2,5-dimethyl-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzenesulfonamide

C21H25F3N4O3S — CID 31203636

About 2,5-dimethyl-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzenesulfonamide

2,5-dimethyl-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzenesulfonamide (PubChem CID 31203636) has the molecular formula C21H25F3N4O3S and a molecular weight of 470.52 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,5-dimethyl-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzenesulfonamide
• PubChem CID: 31203636
• Molecular Formula: C21H25F3N4O3S
• Molecular Weight: 470.52 g/mol
• Exact Mass: 470.16
• IUPAC Name: 2,5-dimethyl-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzenesulfonamide
• SMILES: Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1
• InChI: InChI=1S/C21H25F3N4O3S/c1-15-3-4-16(2)18(13-15)32(30,31)26-8-7-20(29)28-11-9-27(10-12-28)19-6-5-17(14-25-19)21(22,23)24/h3-6,13-14,26H,7-12H2,1-2H3
• InChIKey: VNIQMKWZQWTCLV-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.52
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzenesulfonamide?

The IUPAC name of 2,5-dimethyl-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzenesulfonamide (CID 31203636) is 2,5-dimethyl-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzenesulfonamide.

What is the SMILES notation for 2,5-dimethyl-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzenesulfonamide?

The canonical SMILES for 2,5-dimethyl-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1.

What is the InChIKey of 2,5-dimethyl-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzenesulfonamide?

The InChIKey is VNIQMKWZQWTCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O3S/c1-15-3-4-16(2)18(13-15)32(30,31)26-8-7-20(29)28-11-9-27(10-12-28)19-6-5-17(14-25-19)21(22,23)24/h3-6,13-14,26H,7-12H2,1-2H3.

What are the key properties of 2,5-dimethyl-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzenesulfonamide?

2,5-dimethyl-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzenesulfonamide has a molecular weight of 470.52 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 31203636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).