5-[[ethyl-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]sulfonimidoyl]pyridine-3-carbonitrile

C16H14F4N4OS — CID 177189346

About 5-[[ethyl-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]sulfonimidoyl]pyridine-3-carbonitrile

5-[[ethyl-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]sulfonimidoyl]pyridine-3-carbonitrile (PubChem CID 177189346) has the molecular formula C16H14F4N4OS and a molecular weight of 386.37 g/mol. Its IUPAC name is 5-[[ethyl-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]sulfonimidoyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[[ethyl-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]sulfonimidoyl]pyridine-3-carbonitrile
• PubChem CID: 177189346
• Molecular Formula: C16H14F4N4OS
• Molecular Weight: 386.37 g/mol
• Exact Mass: 386.08
• IUPAC Name: 5-[[ethyl-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]sulfonimidoyl]pyridine-3-carbonitrile
• SMILES: [H]N=[S@](=O)(c1cncc(C#N)c1)N(CC)[C@H](c1ccc(F)cc1)C(F)(F)F
• InChI: InChI=1S/C16H14F4N4OS/c1-2-24(26(22,25)14-7-11(8-21)9-23-10-14)15(16(18,19)20)12-3-5-13(17)6-4-12/h3-7,9-10,15,22H,2H2,1H3/t15-,26-/m1/s1
• InChIKey: LDRZSKJVGJAXBO-PVPMGCCUSA-N
• XLogP: 4.04
• TPSA: 80.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.37
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]sulfonimidoyl]pyridine-3-carbonitrile?

The IUPAC name of 5-[[ethyl-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]sulfonimidoyl]pyridine-3-carbonitrile (CID 177189346) is 5-[[ethyl-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]sulfonimidoyl]pyridine-3-carbonitrile.

What is the SMILES notation for 5-[[ethyl-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]sulfonimidoyl]pyridine-3-carbonitrile?

The canonical SMILES for 5-[[ethyl-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]sulfonimidoyl]pyridine-3-carbonitrile is [H]N=[S@](=O)(c1cncc(C#N)c1)N(CC)[C@H](c1ccc(F)cc1)C(F)(F)F.

What is the InChIKey of 5-[[ethyl-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]sulfonimidoyl]pyridine-3-carbonitrile?

The InChIKey is LDRZSKJVGJAXBO-PVPMGCCUSA-N. The full InChI is InChI=1S/C16H14F4N4OS/c1-2-24(26(22,25)14-7-11(8-21)9-23-10-14)15(16(18,19)20)12-3-5-13(17)6-4-12/h3-7,9-10,15,22H,2H2,1H3/t15-,26-/m1/s1.

What are the key properties of 5-[[ethyl-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]sulfonimidoyl]pyridine-3-carbonitrile?

5-[[ethyl-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]sulfonimidoyl]pyridine-3-carbonitrile has a molecular weight of 386.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[ethyl-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]sulfonimidoyl]pyridine-3-carbonitrile is sourced from PubChem (CID 177189346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).