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

C26H24F8N2O4S — CID 122679236

About 8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(oxan-4-yl)-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-(oxan-4-yl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide (PubChem CID 122679236) has the molecular formula C26H24F8N2O4S and a molecular weight of 612.54 g/mol. Its IUPAC name is 8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(oxan-4-yl)-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-(oxan-4-yl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide
• PubChem CID: 122679236
• Molecular Formula: C26H24F8N2O4S
• Molecular Weight: 612.54 g/mol
• Exact Mass: 612.13
• IUPAC Name: 8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(oxan-4-yl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide
• SMILES: O=C(NC1CCOCC1)N1CCC2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC12
• InChI: InChI=1S/C26H24F8N2O4S/c27-17-2-4-19(5-3-17)41(38,39)23-9-10-36(22(37)35-18-7-11-40-12-8-18)21(23)14-15-13-16(1-6-20(15)23)24(28,25(29,30)31)26(32,33)34/h1-6,13,18,21H,7-12,14H2,(H,35,37)
• InChIKey: OCQDYRGXGGPYLB-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.54
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
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-(oxan-4-yl)-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-(oxan-4-yl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide (CID 122679236) is 8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(oxan-4-yl)-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-(oxan-4-yl)-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-(oxan-4-yl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide is O=C(NC1CCOCC1)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-(oxan-4-yl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide?

The InChIKey is OCQDYRGXGGPYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F8N2O4S/c27-17-2-4-19(5-3-17)41(38,39)23-9-10-36(22(37)35-18-7-11-40-12-8-18)21(23)14-15-13-16(1-6-20(15)23)24(28,25(29,30)31)26(32,33)34/h1-6,13,18,21H,7-12,14H2,(H,35,37).

What are the key properties of 8b-(4-fluorophenyl)sulfonyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(oxan-4-yl)-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-(oxan-4-yl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide has a molecular weight of 612.54 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 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-(oxan-4-yl)-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole-3-carboxamide is sourced from PubChem (CID 122679236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).