5,5,6,6,6-pentafluoro-N-hexylhexane-2-sulfonamide

C12H22F5NO2S — CID 142793501

IUPAC5,5,6,6,6-pentafluoro-N-hexylhexane-2-sulfonamide
SMILESCCCCCCNS(=O)(=O)C(C)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C12H22F5NO2S/c1-3-4-5-6-9-18-21(19,20)10(2)7-8-11(13,14)12(15,16)17/h10,18H,3-9H2,1-2H3
InChIKeyCYAJIWIKDAKEHR-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.85
Rot. Bonds10

About 5,5,6,6,6-pentafluoro-N-hexylhexane-2-sulfonamide

5,5,6,6,6-pentafluoro-N-hexylhexane-2-sulfonamide (PubChem CID 142793501) has the molecular formula C12H22F5NO2S and a molecular weight of 339.37 g/mol. Its IUPAC name is 5,5,6,6,6-pentafluoro-N-hexylhexane-2-sulfonamide.

Molecular Properties

Compound Name5,5,6,6,6-pentafluoro-N-hexylhexane-2-sulfonamide
PubChem CID142793501
Molecular FormulaC12H22F5NO2S
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name5,5,6,6,6-pentafluoro-N-hexylhexane-2-sulfonamide
SMILESCCCCCCNS(=O)(=O)C(C)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C12H22F5NO2S/c1-3-4-5-6-9-18-21(19,20)10(2)7-8-11(13,14)12(15,16)17/h10,18H,3-9H2,1-2H3
InChIKeyCYAJIWIKDAKEHR-UHFFFAOYSA-N
XLogP3.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.85
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

N-Ethyl perfluorohexylsulfonamide
CID 14661393
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
Propyl perfluorohexane sulfonamide
CID 19931112
N-amyl-n-butanesulfamide
CID 303123
N-(7,7,7-trifluoroheptyl)methanesulfonamide
CID 138981048
1-Octanesulfonamide, N-dodecyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-
CID 156603
N-butyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonamide
CID 19931111
1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-propylpentane-1-sulfonamide
CID 19931113
N-decyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 20406355

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,6-pentafluoro-N-hexylhexane-2-sulfonamide?
The IUPAC name of 5,5,6,6,6-pentafluoro-N-hexylhexane-2-sulfonamide (CID 142793501) is 5,5,6,6,6-pentafluoro-N-hexylhexane-2-sulfonamide.
What is the SMILES notation for 5,5,6,6,6-pentafluoro-N-hexylhexane-2-sulfonamide?
The canonical SMILES for 5,5,6,6,6-pentafluoro-N-hexylhexane-2-sulfonamide is CCCCCCNS(=O)(=O)C(C)CCC(F)(F)C(F)(F)F.
What is the InChIKey of 5,5,6,6,6-pentafluoro-N-hexylhexane-2-sulfonamide?
The InChIKey is CYAJIWIKDAKEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F5NO2S/c1-3-4-5-6-9-18-21(19,20)10(2)7-8-11(13,14)12(15,16)17/h10,18H,3-9H2,1-2H3.
What are the key properties of 5,5,6,6,6-pentafluoro-N-hexylhexane-2-sulfonamide?
5,5,6,6,6-pentafluoro-N-hexylhexane-2-sulfonamide has a molecular weight of 339.37 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,6-pentafluoro-N-hexylhexane-2-sulfonamide is sourced from PubChem (CID 142793501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).