1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecylsulfonylamino)cyclohexyl]undecane-1-sulfonamide

C28H12F46N2O4S2 — CID 59945277

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecylsulfonylamino)cyclohexyl]undecane-1-sulfonamide
SMILESO=S(=O)(NC1CCC(NS(=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)C(F)(F)C(F)(F)C(F)(F)F)CC1)C(F)(F)C(F)(F)C(F)(F)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
InChIInChI=1S/C28H12F46N2O4S2/c29-7(30,9(33,34)13(41,42)17(49,50)21(57,58)25(65,66)67)11(37,38)15(45,46)19(53,54)23(61,62)27(71,72)81(77,78)75-5-1-2-6(4-3-5)76-82(79,80)28(73,74)24(63,64)20(55,56)16(47,48)12(39,40)8(31,32)10(35,36)14(43,44)18(51,52)22(59,60)26(68,69)70/h5-6,75-76H,1-4H2
InChIKeyVSSUQESWALQXDD-UHFFFAOYSA-N
MW1378.46 g/mol
LogP13.88
Rot. Bonds24

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecylsulfonylamino)cyclohexyl]undecane-1-sulfonamide

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecylsulfonylamino)cyclohexyl]undecane-1-sulfonamide (PubChem CID 59945277) has the molecular formula C28H12F46N2O4S2 and a molecular weight of 1378.46 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecylsulfonylamino)cyclohexyl]undecane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecylsulfonylamino)cyclohexyl]undecane-1-sulfonamide
PubChem CID59945277
Molecular FormulaC28H12F46N2O4S2
Molecular Weight1378.46 g/mol
Exact Mass1377.95
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecylsulfonylamino)cyclohexyl]undecane-1-sulfonamide
SMILESO=S(=O)(NC1CCC(NS(=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)C(F)(F)C(F)(F)C(F)(F)F)CC1)C(F)(F)C(F)(F)C(F)(F)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
InChIInChI=1S/C28H12F46N2O4S2/c29-7(30,9(33,34)13(41,42)17(49,50)21(57,58)25(65,66)67)11(37,38)15(45,46)19(53,54)23(61,62)27(71,72)81(77,78)75-5-1-2-6(4-3-5)76-82(79,80)28(73,74)24(63,64)20(55,56)16(47,48)12(39,40)8(31,32)10(35,36)14(43,44)18(51,52)22(59,60)26(68,69)70/h5-6,75-76H,1-4H2
InChIKeyVSSUQESWALQXDD-UHFFFAOYSA-N
XLogP13.88
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001378.46
LogP ≤ 513.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecylsulfonylamino)cyclohexyl]undecane-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecylsulfonylamino)cyclohexyl]undecane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecylsulfonylamino)cyclohexyl]undecane-1-sulfonamide (CID 59945277) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecylsulfonylamino)cyclohexyl]undecane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecylsulfonylamino)cyclohexyl]undecane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecylsulfonylamino)cyclohexyl]undecane-1-sulfonamide is O=S(=O)(NC1CCC(NS(=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)C(F)(F)C(F)(F)C(F)(F)F)CC1)C(F)(F)C(F)(F)C(F)(F)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 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecylsulfonylamino)cyclohexyl]undecane-1-sulfonamide?
The InChIKey is VSSUQESWALQXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H12F46N2O4S2/c29-7(30,9(33,34)13(41,42)17(49,50)21(57,58)25(65,66)67)11(37,38)15(45,46)19(53,54)23(61,62)27(71,72)81(77,78)75-5-1-2-6(4-3-5)76-82(79,80)28(73,74)24(63,64)20(55,56)16(47,48)12(39,40)8(31,32)10(35,36)14(43,44)18(51,52)22(59,60)26(68,69)70/h5-6,75-76H,1-4H2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecylsulfonylamino)cyclohexyl]undecane-1-sulfonamide?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecylsulfonylamino)cyclohexyl]undecane-1-sulfonamide has a molecular weight of 1378.46 g/mol, XLogP of 13.88, 24 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoro-N-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecylsulfonylamino)cyclohexyl]undecane-1-sulfonamide is sourced from PubChem (CID 59945277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).