5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzenesulfonamide

C22H20F3N3O3S — CID 166004444

About 5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzenesulfonamide

5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzenesulfonamide (PubChem CID 166004444) has the molecular formula C22H20F3N3O3S and a molecular weight of 463.48 g/mol. Its IUPAC name is 5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzenesulfonamide
• PubChem CID: 166004444
• Molecular Formula: C22H20F3N3O3S
• Molecular Weight: 463.48 g/mol
• Exact Mass: 463.12
• IUPAC Name: 5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzenesulfonamide
• SMILES: NS(=O)(=O)c1cc(-c2ccccc2)ccc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1
• InChI: InChI=1S/C22H20F3N3O3S/c23-22(24,25)17-7-9-21(27-13-17)31-18-10-11-28(14-18)19-8-6-16(12-20(19)32(26,29)30)15-4-2-1-3-5-15/h1-9,12-13,18H,10-11,14H2,(H2,26,29,30)/t18-/m1/s1
• InChIKey: NSTGFJBKPZUQIY-GOSISDBHSA-N
• XLogP: 4.07
• TPSA: 85.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.48
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzenesulfonamide?

The IUPAC name of 5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzenesulfonamide (CID 166004444) is 5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzenesulfonamide.

What is the SMILES notation for 5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzenesulfonamide?

The canonical SMILES for 5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzenesulfonamide is NS(=O)(=O)c1cc(-c2ccccc2)ccc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1.

What is the InChIKey of 5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzenesulfonamide?

The InChIKey is NSTGFJBKPZUQIY-GOSISDBHSA-N. The full InChI is InChI=1S/C22H20F3N3O3S/c23-22(24,25)17-7-9-21(27-13-17)31-18-10-11-28(14-18)19-8-6-16(12-20(19)32(26,29)30)15-4-2-1-3-5-15/h1-9,12-13,18H,10-11,14H2,(H2,26,29,30)/t18-/m1/s1.

What are the key properties of 5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzenesulfonamide?

5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 463.48 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 166004444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).