8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide

C25H24F8N2O4S — CID 122679099

About 8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide

8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide (PubChem CID 122679099) has the molecular formula C25H24F8N2O4S and a molecular weight of 600.53 g/mol. Its IUPAC name is 8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide
• PubChem CID: 122679099
• Molecular Formula: C25H24F8N2O4S
• Molecular Weight: 600.53 g/mol
• Exact Mass: 600.13
• IUPAC Name: 8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide
• SMILES: CC(C)(O)CNC(=O)N1CCC2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC12
• InChI: InChI=1S/C25H24F8N2O4S/c1-21(2,37)13-34-20(36)35-10-9-22(40(38,39)17-6-4-16(26)5-7-17)18-8-3-15(11-14(18)12-19(22)35)23(27,24(28,29)30)25(31,32)33/h3-8,11,19,37H,9-10,12-13H2,1-2H3,(H,34,36)
• InChIKey: BVMFCTGBLBEZTL-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 86.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.53
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide?

The IUPAC name of 8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide (CID 122679099) is 8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide.

What is the SMILES notation for 8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide?

The canonical SMILES for 8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide is CC(C)(O)CNC(=O)N1CCC2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC12.

What is the InChIKey of 8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide?

The InChIKey is BVMFCTGBLBEZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F8N2O4S/c1-21(2,37)13-34-20(36)35-10-9-22(40(38,39)17-6-4-16(26)5-7-17)18-8-3-15(11-14(18)12-19(22)35)23(27,24(28,29)30)25(31,32)33/h3-8,11,19,37H,9-10,12-13H2,1-2H3,(H,34,36).

What are the key properties of 8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide?

8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide has a molecular weight of 600.53 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide is sourced from PubChem (CID 122679099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).