1,1,2,2,2-pentafluoro-N-pentylethanesulfonamide

C7H12F5NO2S — CID 129294811

IUPAC1,1,2,2,2-pentafluoro-N-pentylethanesulfonamide
SMILESCCCCCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H12F5NO2S/c1-2-3-4-5-13-16(14,15)7(11,12)6(8,9)10/h13H,2-5H2,1H3
InChIKeyHCADOSGSLAUZTO-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.25
Rot. Bonds6

About 1,1,2,2,2-pentafluoro-N-pentylethanesulfonamide

1,1,2,2,2-pentafluoro-N-pentylethanesulfonamide (PubChem CID 129294811) has the molecular formula C7H12F5NO2S and a molecular weight of 269.23 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N-pentylethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N-pentylethanesulfonamide
PubChem CID129294811
Molecular FormulaC7H12F5NO2S
Molecular Weight269.23 g/mol
Exact Mass269.05
IUPAC Name1,1,2,2,2-pentafluoro-N-pentylethanesulfonamide
SMILESCCCCCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H12F5NO2S/c1-2-3-4-5-13-16(14,15)7(11,12)6(8,9)10/h13H,2-5H2,1H3
InChIKeyHCADOSGSLAUZTO-UHFFFAOYSA-N
XLogP2.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-
CID 111914
N-ethyl perfluorobutanesulfonamide
CID 14661392
N-Ethyl perfluorohexylsulfonamide
CID 14661393
N-Ethyl perfluoropentane sulfonamide
CID 19931110
N-Propyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 14512906
N-Butylperfluorooctane-1-sulfonamide
CID 22149415
N-Hexylperfluorobutanesulfonamide
CID 85868528
N-Butyl-perfluorobutanesulfonamide
CID 86068657
N-Hexyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 22352711
N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
Propyl perfluorohexane sulfonamide
CID 19931112
1,1,1-trifluoro-N-hexylmethanesulfonamide
CID 58427693

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoro-N-pentylethanesulfonamide?
The IUPAC name of 1,1,2,2,2-pentafluoro-N-pentylethanesulfonamide (CID 129294811) is 1,1,2,2,2-pentafluoro-N-pentylethanesulfonamide.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N-pentylethanesulfonamide?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N-pentylethanesulfonamide is CCCCCNS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N-pentylethanesulfonamide?
The InChIKey is HCADOSGSLAUZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F5NO2S/c1-2-3-4-5-13-16(14,15)7(11,12)6(8,9)10/h13H,2-5H2,1H3.
What are the key properties of 1,1,2,2,2-pentafluoro-N-pentylethanesulfonamide?
1,1,2,2,2-pentafluoro-N-pentylethanesulfonamide has a molecular weight of 269.23 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoro-N-pentylethanesulfonamide is sourced from PubChem (CID 129294811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).