1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide

C4HF10NO4S2 — CID 59703058

IUPAC1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4HF10NO4S2/c5-1(6,2(7,8)9)3(10,11)20(16,17)15-21(18,19)4(12,13)14/h15H
InChIKeyWXRDRVMNVYLCEV-UHFFFAOYSA-N
MW381.17 g/mol
LogP1.55
Rot. Bonds4

About 1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide

1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide (PubChem CID 59703058) has the molecular formula C4HF10NO4S2 and a molecular weight of 381.17 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
PubChem CID59703058
Molecular FormulaC4HF10NO4S2
Molecular Weight381.17 g/mol
Exact Mass380.92
IUPAC Name1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4HF10NO4S2/c5-1(6,2(7,8)9)3(10,11)20(16,17)15-21(18,19)4(12,13)14/h15H
InChIKeyWXRDRVMNVYLCEV-UHFFFAOYSA-N
XLogP1.55
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Perfluorobutane sulfonamide
CID 10958205
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
1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide
CID 11208600
Heptafluoropropane-1-sulfonamide
CID 21692167
Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-[(pentafluoroethyl)sulfonyl]-
CID 2779028
Potassium bis(nonafluorobutanesulfonyl)imide
CID 11319533
Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, lithium salt (1:1)
CID 12096715
Lithium Bis(1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonyl)imide
CID 14876273
Perfluoropentane sulfonamide
CID 87793813
Bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 12167909
Sodium perfluorobutane sulfonamide
CID 10958204
Octafluorobutane-1,4-disulfonamide
CID 11631855

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide (CID 59703058) is 1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide is O=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide?
The InChIKey is WXRDRVMNVYLCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF10NO4S2/c5-1(6,2(7,8)9)3(10,11)20(16,17)15-21(18,19)4(12,13)14/h15H.
What are the key properties of 1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide?
1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide has a molecular weight of 381.17 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide is sourced from PubChem (CID 59703058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).