1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

C4H2F9NO2S — CID 10958205

IUPAC1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)
InChIKeyFUVKFLJWBHVMHX-UHFFFAOYSA-N
MW299.11 g/mol
LogP1.70
Rot. Bonds3

About 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (PubChem CID 10958205) has the molecular formula C4H2F9NO2S and a molecular weight of 299.11 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
PubChem CID10958205
Molecular FormulaC4H2F9NO2S
Molecular Weight299.11 g/mol
Exact Mass298.97
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)
InChIKeyFUVKFLJWBHVMHX-UHFFFAOYSA-N
XLogP1.70
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Perfluorohexanesulfonamide
CID 11603678
Perfluoroheptane sulfonamide
CID 11525204
Perfluorobutanesulfonate
CID 3741048
1,1,2,2,3,3,4,4,4-Nonafluoro-N-((1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl)-1-butanesulfonamide
CID 10211210
Pentafluoroethanesulfonamide
CID 11252905
Heptafluoropropane-1-sulfonamide
CID 21692167
1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, ammonium salt (1:1)
CID 163207
Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-[(pentafluoroethyl)sulfonyl]-
CID 2779028
1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-, ammonium salt (1:1)
CID 71432178
1,1,2,2,3,3,4,4,4-nonafluoro-N-hydroxybutane-1-sulfonamide
CID 23645539
Sodium perfluorohexanesulfonamide
CID 46865217
Perfluoropentane sulfonamide
CID 87793813

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (CID 10958205) is 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The InChIKey is FUVKFLJWBHVMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16).
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide has a molecular weight of 299.11 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is sourced from PubChem (CID 10958205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).