1,1,1,2,3,3,3-heptafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)propane-2-sulfonamide

C6HF14NO4S2 — CID 12992972

IUPAC1,1,1,2,3,3,3-heptafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)propane-2-sulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF14NO4S2/c7-1(3(9,10)11,4(12,13)14)26(22,23)21-27(24,25)2(8,5(15,16)17)6(18,19)20/h21H
InChIKeyRZGCVSXJURQENG-UHFFFAOYSA-N
MW481.18 g/mol
LogP2.82
Rot. Bonds4

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

1,1,1,2,3,3,3-heptafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)propane-2-sulfonamide (PubChem CID 12992972) has the molecular formula C6HF14NO4S2 and a molecular weight of 481.18 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)propane-2-sulfonamide
PubChem CID12992972
Molecular FormulaC6HF14NO4S2
Molecular Weight481.18 g/mol
Exact Mass480.91
IUPAC Name1,1,1,2,3,3,3-heptafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)propane-2-sulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF14NO4S2/c7-1(3(9,10)11,4(12,13)14)26(22,23)21-27(24,25)2(8,5(15,16)17)6(18,19)20/h21H
InChIKeyRZGCVSXJURQENG-UHFFFAOYSA-N
XLogP2.82
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.18
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Perfluorobutane sulfonamide
CID 10958205
Potassium bis(nonafluorobutanesulfonyl)imide
CID 11319533
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
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 1,1,1,2,3,3,3-heptafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)propane-2-sulfonamide?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)propane-2-sulfonamide (CID 12992972) is 1,1,1,2,3,3,3-heptafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)propane-2-sulfonamide.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)propane-2-sulfonamide?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)propane-2-sulfonamide is O=S(=O)(NS(=O)(=O)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)propane-2-sulfonamide?
The InChIKey is RZGCVSXJURQENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF14NO4S2/c7-1(3(9,10)11,4(12,13)14)26(22,23)21-27(24,25)2(8,5(15,16)17)6(18,19)20/h21H.
What are the key properties of 1,1,1,2,3,3,3-heptafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)propane-2-sulfonamide?
1,1,1,2,3,3,3-heptafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)propane-2-sulfonamide has a molecular weight of 481.18 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)propane-2-sulfonamide is sourced from PubChem (CID 12992972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).