(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-hydroxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide;molecular fluorine;molecular hydrogen;hydrofluoride

C23H23F8N5O4S — CID 145136471

About (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-hydroxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide;molecular fluorine;molecular hydrogen;hydrofluoride

(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-hydroxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide;molecular fluorine;molecular hydrogen;hydrofluoride (PubChem CID 145136471) has the molecular formula C23H23F8N5O4S and a molecular weight of 617.52 g/mol. Its IUPAC name is (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-hydroxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide;molecular fluorine;molecular hydrogen;hydrofluoride.

Molecular Properties

• Compound Name: (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-hydroxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide;molecular fluorine;molecular hydrogen;hydrofluoride
• PubChem CID: 145136471
• Molecular Formula: C23H23F8N5O4S
• Molecular Weight: 617.52 g/mol
• Exact Mass: 617.13
• IUPAC Name: (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-hydroxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide;molecular fluorine;molecular hydrogen;hydrofluoride
• SMILES: C[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)c(O)cn2)N1S(=O)(=O)c1ccc(F)cc1.F.FF.[H][H]
• InChI: InChI=1S/C23H20F5N5O4S.F2.FH.H2/c1-12-18(25)7-19(33(12)38(36,37)16-4-2-14(24)3-5-16)21(35)30-10-15-6-17(20(34)11-29-15)13-8-31-22(32-9-13)23(26,27)28;1-2;;/h2-6,8-9,11-12,18-19,34H,7,10H2,1H3,(H,30,35);;2*1H/t12-,18+,19-;;;/m0.../s1
• InChIKey: CGQJYOYKDRTSPQ-PTLFCEFCSA-N
• XLogP: 4.45
• TPSA: 125.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.52
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-hydroxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide;molecular fluorine;molecular hydrogen;hydrofluoride?

The IUPAC name of (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-hydroxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide;molecular fluorine;molecular hydrogen;hydrofluoride (CID 145136471) is (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-hydroxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide;molecular fluorine;molecular hydrogen;hydrofluoride.

What is the SMILES notation for (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-hydroxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide;molecular fluorine;molecular hydrogen;hydrofluoride?

The canonical SMILES for (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-hydroxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide;molecular fluorine;molecular hydrogen;hydrofluoride is C[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)c(O)cn2)N1S(=O)(=O)c1ccc(F)cc1.F.FF.[H][H].

What is the InChIKey of (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-hydroxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide;molecular fluorine;molecular hydrogen;hydrofluoride?

The InChIKey is CGQJYOYKDRTSPQ-PTLFCEFCSA-N. The full InChI is InChI=1S/C23H20F5N5O4S.F2.FH.H2/c1-12-18(25)7-19(33(12)38(36,37)16-4-2-14(24)3-5-16)21(35)30-10-15-6-17(20(34)11-29-15)13-8-31-22(32-9-13)23(26,27)28;1-2;;/h2-6,8-9,11-12,18-19,34H,7,10H2,1H3,(H,30,35);;2*1H/t12-,18+,19-;;;/m0.../s1.

What are the key properties of (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-hydroxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide;molecular fluorine;molecular hydrogen;hydrofluoride?

(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-hydroxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide;molecular fluorine;molecular hydrogen;hydrofluoride has a molecular weight of 617.52 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-hydroxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide;molecular fluorine;molecular hydrogen;hydrofluoride is sourced from PubChem (CID 145136471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).