2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonamide

C8H4F15NO2S — CID 165362507

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonamide
SMILESNS(=O)(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F15NO2S/c9-2(10,1-27(24,25)26)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1H2,(H2,24,25,26)
InChIKeyWXBBNQFZIVWCAJ-UHFFFAOYSA-N
MW463.16 g/mol
LogP3.65
Rot. Bonds7

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonamide

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonamide (PubChem CID 165362507) has the molecular formula C8H4F15NO2S and a molecular weight of 463.16 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonamide
PubChem CID165362507
Molecular FormulaC8H4F15NO2S
Molecular Weight463.16 g/mol
Exact Mass462.97
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonamide
SMILESNS(=O)(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F15NO2S/c9-2(10,1-27(24,25)26)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1H2,(H2,24,25,26)
InChIKeyWXBBNQFZIVWCAJ-UHFFFAOYSA-N
XLogP3.65
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.16
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonamide with MolForge

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Related Compounds

6:2 FTSA
CID 119688
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctane-1-sulfonamide
CID 11669093
1H,1H,2H,2H-Perfluorodecanesulfonic acid
CID 3016044
Potassium 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanesulphonate
CID 23696809
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanesulfonyl chloride
CID 119685
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecanesulfonyl chloride
CID 119686
2-(Perfluorohexyl)ethane-1-sulfonate
CID 20734544
2-(Perfluorododecyl)ethane-1-sulfonic acid
CID 23136179
10:2 Fluorotelomer sulfonic acid
CID 23136180
1-octanesulfonic acid, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-, ammonium salt
CID 15333601
1-Undecanesulfonyl chloride, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoro-
CID 103440
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Pentacosafluorotetradecane-1-sulphonyl chloride
CID 111556

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonamide (CID 165362507) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonamide is NS(=O)(=O)CC(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 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonamide?
The InChIKey is WXBBNQFZIVWCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F15NO2S/c9-2(10,1-27(24,25)26)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1H2,(H2,24,25,26).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonamide?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonamide has a molecular weight of 463.16 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonamide is sourced from PubChem (CID 165362507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).