1,1,1-trifluoro-N-[S-fluoro-N-(trifluoromethylsulfonyl)sulfonimidoyl]methanesulfonamide

C2HF7N2O5S3 — CID 168967473

IUPAC1,1,1-trifluoro-N-[S-fluoro-N-(trifluoromethylsulfonyl)sulfonimidoyl]methanesulfonamide
SMILESO=S(=O)(N=S(=O)(F)NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C2HF7N2O5S3/c3-1(4,5)17(12,13)10-19(9,16)11-18(14,15)2(6,7)8/h(H,10,11,16)
InChIKeyOJPPHHVSUKYWQX-UHFFFAOYSA-N
MW362.23 g/mol
LogP0.54
Rot. Bonds3

About 1,1,1-trifluoro-N-[S-fluoro-N-(trifluoromethylsulfonyl)sulfonimidoyl]methanesulfonamide

1,1,1-trifluoro-N-[S-fluoro-N-(trifluoromethylsulfonyl)sulfonimidoyl]methanesulfonamide (PubChem CID 168967473) has the molecular formula C2HF7N2O5S3 and a molecular weight of 362.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[S-fluoro-N-(trifluoromethylsulfonyl)sulfonimidoyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[S-fluoro-N-(trifluoromethylsulfonyl)sulfonimidoyl]methanesulfonamide
PubChem CID168967473
Molecular FormulaC2HF7N2O5S3
Molecular Weight362.23 g/mol
Exact Mass361.89
IUPAC Name1,1,1-trifluoro-N-[S-fluoro-N-(trifluoromethylsulfonyl)sulfonimidoyl]methanesulfonamide
SMILESO=S(=O)(N=S(=O)(F)NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C2HF7N2O5S3/c3-1(4,5)17(12,13)10-19(9,16)11-18(14,15)2(6,7)8/h(H,10,11,16)
InChIKeyOJPPHHVSUKYWQX-UHFFFAOYSA-N
XLogP0.54
TPSA109.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[S-fluoro-N-(trifluoromethylsulfonyl)sulfonimidoyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[S-fluoro-N-(trifluoromethylsulfonyl)sulfonimidoyl]methanesulfonamide (CID 168967473) is 1,1,1-trifluoro-N-[S-fluoro-N-(trifluoromethylsulfonyl)sulfonimidoyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[S-fluoro-N-(trifluoromethylsulfonyl)sulfonimidoyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[S-fluoro-N-(trifluoromethylsulfonyl)sulfonimidoyl]methanesulfonamide is O=S(=O)(N=S(=O)(F)NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[S-fluoro-N-(trifluoromethylsulfonyl)sulfonimidoyl]methanesulfonamide?
The InChIKey is OJPPHHVSUKYWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF7N2O5S3/c3-1(4,5)17(12,13)10-19(9,16)11-18(14,15)2(6,7)8/h(H,10,11,16).
What are the key properties of 1,1,1-trifluoro-N-[S-fluoro-N-(trifluoromethylsulfonyl)sulfonimidoyl]methanesulfonamide?
1,1,1-trifluoro-N-[S-fluoro-N-(trifluoromethylsulfonyl)sulfonimidoyl]methanesulfonamide has a molecular weight of 362.23 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[S-fluoro-N-(trifluoromethylsulfonyl)sulfonimidoyl]methanesulfonamide is sourced from PubChem (CID 168967473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).