1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethylamino]ethyl]-N-propyloctane-1-sulfonamide

C26H23F34N3O4S2 — CID 87959720

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethylamino]ethyl]-N-propyloctane-1-sulfonamide

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethylamino]ethyl]-N-propyloctane-1-sulfonamide (PubChem CID 87959720) has the molecular formula C26H23F34N3O4S2 and a molecular weight of 1151.55 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-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethylamino]ethyl]-N-propyloctane-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-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethylamino]ethyl]-N-propyloctane-1-sulfonamide
• PubChem CID: 87959720
• Molecular Formula: C26H23F34N3O4S2
• Molecular Weight: 1151.55 g/mol
• Exact Mass: 1151.06
• IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethylamino]ethyl]-N-propyloctane-1-sulfonamide
• SMILES: CCCN(CCNCCN(CCC)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)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/C26H23F34N3O4S2/c1-3-7-62(68(64,65)25(57,58)21(47,48)17(39,40)13(31,32)11(27,28)15(35,36)19(43,44)23(51,52)53)9-5-61-6-10-63(8-4-2)69(66,67)26(59,60)22(49,50)18(41,42)14(33,34)12(29,30)16(37,38)20(45,46)24(54,55)56/h61H,3-10H2,1-2H3
• InChIKey: ZGKIUBQCBYNIJP-UHFFFAOYSA-N
• XLogP: 10.59
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 26
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1151.55
LogP ≤ 5	10.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethylamino]ethyl]-N-propyloctane-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-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethylamino]ethyl]-N-propyloctane-1-sulfonamide (CID 87959720) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethylamino]ethyl]-N-propyloctane-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-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethylamino]ethyl]-N-propyloctane-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-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethylamino]ethyl]-N-propyloctane-1-sulfonamide is CCCN(CCNCCN(CCC)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)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-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethylamino]ethyl]-N-propyloctane-1-sulfonamide?

The InChIKey is ZGKIUBQCBYNIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F34N3O4S2/c1-3-7-62(68(64,65)25(57,58)21(47,48)17(39,40)13(31,32)11(27,28)15(35,36)19(43,44)23(51,52)53)9-5-61-6-10-63(8-4-2)69(66,67)26(59,60)22(49,50)18(41,42)14(33,34)12(29,30)16(37,38)20(45,46)24(54,55)56/h61H,3-10H2,1-2H3.

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-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethylamino]ethyl]-N-propyloctane-1-sulfonamide?

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethylamino]ethyl]-N-propyloctane-1-sulfonamide has a molecular weight of 1151.55 g/mol, XLogP of 10.59, 26 rotatable bonds, 1 hydrogen bond donors, and 5 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-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethylamino]ethyl]-N-propyloctane-1-sulfonamide is sourced from PubChem (CID 87959720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).