1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide

C5H2F11NO2S — CID 87793813

IUPAC1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide
SMILESNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F11NO2S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19/h(H2,17,18,19)
InChIKeyKTCODRNGNIXYDE-UHFFFAOYSA-N
MW349.12 g/mol
LogP2.34
Rot. Bonds4

About 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide

1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide (PubChem CID 87793813) has the molecular formula C5H2F11NO2S and a molecular weight of 349.12 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide
PubChem CID87793813
Molecular FormulaC5H2F11NO2S
Molecular Weight349.12 g/mol
Exact Mass348.96
IUPAC Name1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide
SMILESNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F11NO2S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19/h(H2,17,18,19)
InChIKeyKTCODRNGNIXYDE-UHFFFAOYSA-N
XLogP2.34
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.12
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide (CID 87793813) is 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide is NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide?
The InChIKey is KTCODRNGNIXYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F11NO2S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19/h(H2,17,18,19).
What are the key properties of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide?
1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide has a molecular weight of 349.12 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide is sourced from PubChem (CID 87793813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).