fluorosulfonyl(methylsulfonyl)sulfamic acid

CH4FNO7S3 — CID 166859217

IUPACfluorosulfonyl(methylsulfonyl)sulfamic acid
SMILESCS(=O)(=O)N(S(=O)(=O)O)S(=O)(=O)F
InChIInChI=1S/CH4FNO7S3/c1-11(4,5)3(12(2,6)7)13(8,9)10/h1H3,(H,8,9,10)
InChIKeyVFNNOFIQHHPVIL-UHFFFAOYSA-N
MW257.24 g/mol
LogP-1.73
Rot. Bonds3

About fluorosulfonyl(methylsulfonyl)sulfamic acid

fluorosulfonyl(methylsulfonyl)sulfamic acid (PubChem CID 166859217) has the molecular formula CH4FNO7S3 and a molecular weight of 257.24 g/mol. Its IUPAC name is fluorosulfonyl(methylsulfonyl)sulfamic acid.

Molecular Properties

Compound Namefluorosulfonyl(methylsulfonyl)sulfamic acid
PubChem CID166859217
Molecular FormulaCH4FNO7S3
Molecular Weight257.24 g/mol
Exact Mass256.91
IUPAC Namefluorosulfonyl(methylsulfonyl)sulfamic acid
SMILESCS(=O)(=O)N(S(=O)(=O)O)S(=O)(=O)F
InChIInChI=1S/CH4FNO7S3/c1-11(4,5)3(12(2,6)7)13(8,9)10/h1H3,(H,8,9,10)
InChIKeyVFNNOFIQHHPVIL-UHFFFAOYSA-N
XLogP-1.73
TPSA125.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 5-1.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluorosulfonyl(methylsulfonyl)sulfamic acid?
The IUPAC name of fluorosulfonyl(methylsulfonyl)sulfamic acid (CID 166859217) is fluorosulfonyl(methylsulfonyl)sulfamic acid.
What is the SMILES notation for fluorosulfonyl(methylsulfonyl)sulfamic acid?
The canonical SMILES for fluorosulfonyl(methylsulfonyl)sulfamic acid is CS(=O)(=O)N(S(=O)(=O)O)S(=O)(=O)F.
What is the InChIKey of fluorosulfonyl(methylsulfonyl)sulfamic acid?
The InChIKey is VFNNOFIQHHPVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4FNO7S3/c1-11(4,5)3(12(2,6)7)13(8,9)10/h1H3,(H,8,9,10).
What are the key properties of fluorosulfonyl(methylsulfonyl)sulfamic acid?
fluorosulfonyl(methylsulfonyl)sulfamic acid has a molecular weight of 257.24 g/mol, XLogP of -1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluorosulfonyl(methylsulfonyl)sulfamic acid is sourced from PubChem (CID 166859217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).