1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[[3-[6-[5-[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]hexyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methyloctane-1-sulfonamide

C32H28F34N4O8S2 — CID 101122887

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[[3-[6-[5-[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]hexyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methyloctane-1-sulfonamide

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[[3-[6-[5-[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]hexyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methyloctane-1-sulfonamide (PubChem CID 101122887) has the molecular formula C32H28F34N4O8S2 and a molecular weight of 1306.66 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[[3-[6-[5-[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]hexyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methyloctane-1-sulfonamide.

Molecular Properties

• Compound Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[[3-[6-[5-[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]hexyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methyloctane-1-sulfonamide
• PubChem CID: 101122887
• Molecular Formula: C32H28F34N4O8S2
• Molecular Weight: 1306.66 g/mol
• Exact Mass: 1306.08
• IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[[3-[6-[5-[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]hexyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methyloctane-1-sulfonamide
• SMILES: CN(CC1CN(CCCCCCN2CC(CN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC2=O)C(=O)O1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C32H28F34N4O8S2/c1-67(79(73,74)31(63,64)27(53,54)23(45,46)19(37,38)17(33,34)21(41,42)25(49,50)29(57,58)59)9-13-11-69(15(71)77-13)7-5-3-4-6-8-70-12-14(78-16(70)72)10-68(2)80(75,76)32(65,66)28(55,56)24(47,48)20(39,40)18(35,36)22(43,44)26(51,52)30(60,61)62/h13-14H,3-12H2,1-2H3
• InChIKey: PPQKHCUDPRXCLO-UHFFFAOYSA-N
• XLogP: 10.65
• TPSA: 133.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 27
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1306.66
LogP ≤ 5	10.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[[3-[6-[5-[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]hexyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methyloctane-1-sulfonamide?

The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[[3-[6-[5-[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]hexyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methyloctane-1-sulfonamide (CID 101122887) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[[3-[6-[5-[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]hexyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methyloctane-1-sulfonamide.

What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[[3-[6-[5-[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]hexyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methyloctane-1-sulfonamide?

The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[[3-[6-[5-[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]hexyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methyloctane-1-sulfonamide is CN(CC1CN(CCCCCCN2CC(CN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC2=O)C(=O)O1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[[3-[6-[5-[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]hexyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methyloctane-1-sulfonamide?

The InChIKey is PPQKHCUDPRXCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F34N4O8S2/c1-67(79(73,74)31(63,64)27(53,54)23(45,46)19(37,38)17(33,34)21(41,42)25(49,50)29(57,58)59)9-13-11-69(15(71)77-13)7-5-3-4-6-8-70-12-14(78-16(70)72)10-68(2)80(75,76)32(65,66)28(55,56)24(47,48)20(39,40)18(35,36)22(43,44)26(51,52)30(60,61)62/h13-14H,3-12H2,1-2H3.

What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[[3-[6-[5-[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]hexyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methyloctane-1-sulfonamide?

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[[3-[6-[5-[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]hexyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methyloctane-1-sulfonamide has a molecular weight of 1306.66 g/mol, XLogP of 10.65, 27 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[[3-[6-[5-[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]hexyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methyloctane-1-sulfonamide is sourced from PubChem (CID 101122887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).