1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methylsulfonyl)azanide

C4H3F7NO4S2- — CID 140529085

IUPAC1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methylsulfonyl)azanide
SMILESCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F7NO4S2/c1-17(13,14)12-18(15,16)4(10,11)2(5,6)3(7,8)9/h1H3/q-1
InChIKeyBHNPTPTWDYIIHL-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.44
Rot. Bonds4

About 1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methylsulfonyl)azanide

1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methylsulfonyl)azanide (PubChem CID 140529085) has the molecular formula C4H3F7NO4S2- and a molecular weight of 326.19 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methylsulfonyl)azanide.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methylsulfonyl)azanide
PubChem CID140529085
Molecular FormulaC4H3F7NO4S2-
Molecular Weight326.19 g/mol
Exact Mass325.94
IUPAC Name1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methylsulfonyl)azanide
SMILESCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F7NO4S2/c1-17(13,14)12-18(15,16)4(10,11)2(5,6)3(7,8)9/h1H3/q-1
InChIKeyBHNPTPTWDYIIHL-UHFFFAOYSA-N
XLogP1.44
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 12167909
Nonafluorobutylsulfonyl(trifluoromethylsulfonyl)amine
CID 11048287
Perfluoro-N-[(trifluoromethyl)sulfonyl]butanesulfonamide sodium salt
CID 138396263
1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 59703058
Lithium bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 87691590
1,1,2,2,2-pentafluoro-N-methylsulfonylethanesulfonamide
CID 58981321
1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)butane-1-sulfonamide
CID 11342381
1,1,1,2,3,3,3-heptafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)propane-2-sulfonamide
CID 12992972
1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)butane-1-sulfonamide
CID 15549560
[S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite
CID 20705431
Lithium [(Nonafluorobutyl)sulfonyl][(trifluoromethyl)sulfonyl]aZanide
CID 22987608
1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide
CID 23524874

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methylsulfonyl)azanide?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methylsulfonyl)azanide (CID 140529085) is 1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methylsulfonyl)azanide.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methylsulfonyl)azanide?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methylsulfonyl)azanide is CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methylsulfonyl)azanide?
The InChIKey is BHNPTPTWDYIIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F7NO4S2/c1-17(13,14)12-18(15,16)4(10,11)2(5,6)3(7,8)9/h1H3/q-1.
What are the key properties of 1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methylsulfonyl)azanide?
1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methylsulfonyl)azanide has a molecular weight of 326.19 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoropropylsulfonyl(methylsulfonyl)azanide is sourced from PubChem (CID 140529085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).