1-(fluorosulfonylmethylamino)ethenesulfonyl fluoride

C3H5F2NO4S2 — CID 89351815

IUPAC1-(fluorosulfonylmethylamino)ethenesulfonyl fluoride
SMILESC=C(NCS(=O)(=O)F)S(=O)(=O)F
InChIInChI=1S/C3H5F2NO4S2/c1-3(12(5,9)10)6-2-11(4,7)8/h6H,1-2H2
InChIKeyZMGADMNPKXEVHF-UHFFFAOYSA-N
MW221.21 g/mol
LogP-0.40
Rot. Bonds4

About 1-(fluorosulfonylmethylamino)ethenesulfonyl fluoride

1-(fluorosulfonylmethylamino)ethenesulfonyl fluoride (PubChem CID 89351815) has the molecular formula C3H5F2NO4S2 and a molecular weight of 221.21 g/mol. Its IUPAC name is 1-(fluorosulfonylmethylamino)ethenesulfonyl fluoride.

Molecular Properties

Compound Name1-(fluorosulfonylmethylamino)ethenesulfonyl fluoride
PubChem CID89351815
Molecular FormulaC3H5F2NO4S2
Molecular Weight221.21 g/mol
Exact Mass220.96
IUPAC Name1-(fluorosulfonylmethylamino)ethenesulfonyl fluoride
SMILESC=C(NCS(=O)(=O)F)S(=O)(=O)F
InChIInChI=1S/C3H5F2NO4S2/c1-3(12(5,9)10)6-2-11(4,7)8/h6H,1-2H2
InChIKeyZMGADMNPKXEVHF-UHFFFAOYSA-N
XLogP-0.40
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(fluorosulfonylmethylamino)ethenesulfonyl fluoride?
The IUPAC name of 1-(fluorosulfonylmethylamino)ethenesulfonyl fluoride (CID 89351815) is 1-(fluorosulfonylmethylamino)ethenesulfonyl fluoride.
What is the SMILES notation for 1-(fluorosulfonylmethylamino)ethenesulfonyl fluoride?
The canonical SMILES for 1-(fluorosulfonylmethylamino)ethenesulfonyl fluoride is C=C(NCS(=O)(=O)F)S(=O)(=O)F.
What is the InChIKey of 1-(fluorosulfonylmethylamino)ethenesulfonyl fluoride?
The InChIKey is ZMGADMNPKXEVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2NO4S2/c1-3(12(5,9)10)6-2-11(4,7)8/h6H,1-2H2.
What are the key properties of 1-(fluorosulfonylmethylamino)ethenesulfonyl fluoride?
1-(fluorosulfonylmethylamino)ethenesulfonyl fluoride has a molecular weight of 221.21 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluorosulfonylmethylamino)ethenesulfonyl fluoride is sourced from PubChem (CID 89351815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).