[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]ethane

C3H7F3N2O4S2 — CID 20705464

IUPAC[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]ethane
SMILESCCNS(=O)(O)=NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H7F3N2O4S2/c1-2-7-14(11,12)8-13(9,10)3(4,5)6/h2H2,1H3,(H2,7,8,11,12)
InChIKeyFKVMSHLQFQRSKS-UHFFFAOYSA-N
MW256.23 g/mol
LogP0.30
Rot. Bonds3

About [[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]ethane

[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]ethane (PubChem CID 20705464) has the molecular formula C3H7F3N2O4S2 and a molecular weight of 256.23 g/mol. Its IUPAC name is [[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]ethane.

Molecular Properties

Compound Name[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]ethane
PubChem CID20705464
Molecular FormulaC3H7F3N2O4S2
Molecular Weight256.23 g/mol
Exact Mass255.98
IUPAC Name[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]ethane
SMILESCCNS(=O)(O)=NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H7F3N2O4S2/c1-2-7-14(11,12)8-13(9,10)3(4,5)6/h2H2,1H3,(H2,7,8,11,12)
InChIKeyFKVMSHLQFQRSKS-UHFFFAOYSA-N
XLogP0.30
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]ethane?
The IUPAC name of [[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]ethane (CID 20705464) is [[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]ethane.
What is the SMILES notation for [[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]ethane?
The canonical SMILES for [[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]ethane is CCNS(=O)(O)=NS(=O)(=O)C(F)(F)F.
What is the InChIKey of [[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]ethane?
The InChIKey is FKVMSHLQFQRSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F3N2O4S2/c1-2-7-14(11,12)8-13(9,10)3(4,5)6/h2H2,1H3,(H2,7,8,11,12).
What are the key properties of [[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]ethane?
[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]ethane has a molecular weight of 256.23 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]ethane is sourced from PubChem (CID 20705464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).