N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl chloride

C2HClF5NO4S2 — CID 46837539

IUPACN-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl chloride
SMILESO=S(=O)(Cl)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C2HClF5NO4S2/c3-15(12,13)9-14(10,11)2(7,8)1(4,5)6/h9H
InChIKeyGGCCKWYVQXHJKQ-UHFFFAOYSA-N
MW297.61 g/mol
LogP0.54
Rot. Bonds3

About N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl chloride

N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl chloride (PubChem CID 46837539) has the molecular formula C2HClF5NO4S2 and a molecular weight of 297.61 g/mol. Its IUPAC name is N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl chloride
PubChem CID46837539
Molecular FormulaC2HClF5NO4S2
Molecular Weight297.61 g/mol
Exact Mass296.90
IUPAC NameN-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl chloride
SMILESO=S(=O)(Cl)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C2HClF5NO4S2/c3-15(12,13)9-14(10,11)2(7,8)1(4,5)6/h9H
InChIKeyGGCCKWYVQXHJKQ-UHFFFAOYSA-N
XLogP0.54
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.61
LogP ≤ 50.54
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

Pentafluoroethanesulfonamide
CID 11252905
Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-[(pentafluoroethyl)sulfonyl]-
CID 2779028
Bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 12167909
Nonafluorobutylsulfonyl(trifluoromethylsulfonyl)amine
CID 11048287
Bis(perfluoroethylsulfonyl)imide
CID 4067273
1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 59703058
Pentafluoroethylsulfonyl(trifluoromethylsulfonyl)amine
CID 57680057
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
1,1,2,2-Tetrafluoroethane-1,2-disulfonamide
CID 23062174
N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
CID 46837540
Sodium;1,1,2,2,2-pentafluoroethylsulfonyl(trifluoromethylsulfonyl)azanide
CID 57680056

Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl chloride?
The IUPAC name of N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl chloride (CID 46837539) is N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl chloride.
What is the SMILES notation for N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl chloride?
The canonical SMILES for N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl chloride is O=S(=O)(Cl)NS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl chloride?
The InChIKey is GGCCKWYVQXHJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HClF5NO4S2/c3-15(12,13)9-14(10,11)2(7,8)1(4,5)6/h9H.
What are the key properties of N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl chloride?
N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl chloride has a molecular weight of 297.61 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl chloride is sourced from PubChem (CID 46837539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).