4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide

C22H18F6N4O3S2 — CID 122514839

About 4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide

4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide (PubChem CID 122514839) has the molecular formula C22H18F6N4O3S2 and a molecular weight of 564.53 g/mol. Its IUPAC name is 4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide
• PubChem CID: 122514839
• Molecular Formula: C22H18F6N4O3S2
• Molecular Weight: 564.53 g/mol
• Exact Mass: 564.07
• IUPAC Name: 4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide
• SMILES: CC1C(F)CC(C(=O)NCc2cc(-c3ncc(C(F)(F)F)s3)c(F)cn2)N1S(=O)(=O)c1ccc(F)cc1
• InChI: InChI=1S/C22H18F6N4O3S2/c1-11-16(24)7-18(32(11)37(34,35)14-4-2-12(23)3-5-14)20(33)30-8-13-6-15(17(25)9-29-13)21-31-10-19(36-21)22(26,27)28/h2-6,9-11,16,18H,7-8H2,1H3,(H,30,33)
• InChIKey: OYKRMYQWEPIQHX-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 92.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.53
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide?

The IUPAC name of 4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide (CID 122514839) is 4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide.

What is the SMILES notation for 4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide?

The canonical SMILES for 4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide is CC1C(F)CC(C(=O)NCc2cc(-c3ncc(C(F)(F)F)s3)c(F)cn2)N1S(=O)(=O)c1ccc(F)cc1.

What is the InChIKey of 4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide?

The InChIKey is OYKRMYQWEPIQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F6N4O3S2/c1-11-16(24)7-18(32(11)37(34,35)14-4-2-12(23)3-5-14)20(33)30-8-13-6-15(17(25)9-29-13)21-31-10-19(36-21)22(26,27)28/h2-6,9-11,16,18H,7-8H2,1H3,(H,30,33).

What are the key properties of 4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide?

4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide has a molecular weight of 564.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 122514839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).