1H-1,2,4-triazole-3,5-disulfonyl fluoride

C2HF2N3O4S2 — CID 87264770

IUPAC1H-1,2,4-triazole-3,5-disulfonyl fluoride
SMILESO=S(=O)(F)c1n[nH]c(S(=O)(=O)F)n1
InChIInChI=1S/C2HF2N3O4S2/c3-12(8,9)1-5-2(7-6-1)13(4,10)11/h(H,5,6,7)
InChIKeyYEGLLGRZXZEZSY-UHFFFAOYSA-N
MW233.18 g/mol
LogP-0.88
Rot. Bonds2

About 1H-1,2,4-triazole-3,5-disulfonyl fluoride

1H-1,2,4-triazole-3,5-disulfonyl fluoride (PubChem CID 87264770) has the molecular formula C2HF2N3O4S2 and a molecular weight of 233.18 g/mol. Its IUPAC name is 1H-1,2,4-triazole-3,5-disulfonyl fluoride.

Molecular Properties

Compound Name1H-1,2,4-triazole-3,5-disulfonyl fluoride
PubChem CID87264770
Molecular FormulaC2HF2N3O4S2
Molecular Weight233.18 g/mol
Exact Mass232.94
IUPAC Name1H-1,2,4-triazole-3,5-disulfonyl fluoride
SMILESO=S(=O)(F)c1n[nH]c(S(=O)(=O)F)n1
InChIInChI=1S/C2HF2N3O4S2/c3-12(8,9)1-5-2(7-6-1)13(4,10)11/h(H,5,6,7)
InChIKeyYEGLLGRZXZEZSY-UHFFFAOYSA-N
XLogP-0.88
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-fluorosulfonyl-1H-1,2,4-triazol-3-yl)sulfanyloxy hypofluorite
CID 57972500
5-fluoro-1H-1,2,4-triazole-3-sulfonyl fluoride
CID 57972512
5-fluoro-1H-1,2,4-triazole-3-sulfonyl chloride
CID 57972539
1H-1,2,4-Triazole-3-sulfonyl chloride, 5-amino-
CID 11063062
3-amino-1H-1,2,4-triazole-5-sulfinate
CID 57095769
3-chlorylsulfanyl-1H-1,2,4-triazole-5-sulfonyl chloride
CID 57972529
3-sulfanylperoxychloranuidyl-1H-1,2,4-triazole-5-sulfonyl chloride
CID 58361890
5-chlorosulfonyl-3-sulfinatochloranuidyl-1H-1,2,4-triazole
CID 58361905
1H-1,2,4-triazole-3,5-disulfonyl chloride
CID 87264817
CID 87264841
CID 87264841
5-fluoro-1H-1,2,4-triazole-3-sulfonyl fluoride;sulfur dioxide
CID 123268152
3-sulfamoyl-1H-1,2,4-triazole-5-sulfonyl chloride
CID 141009439

Frequently Asked Questions

What is the IUPAC name of 1H-1,2,4-triazole-3,5-disulfonyl fluoride?
The IUPAC name of 1H-1,2,4-triazole-3,5-disulfonyl fluoride (CID 87264770) is 1H-1,2,4-triazole-3,5-disulfonyl fluoride.
What is the SMILES notation for 1H-1,2,4-triazole-3,5-disulfonyl fluoride?
The canonical SMILES for 1H-1,2,4-triazole-3,5-disulfonyl fluoride is O=S(=O)(F)c1n[nH]c(S(=O)(=O)F)n1.
What is the InChIKey of 1H-1,2,4-triazole-3,5-disulfonyl fluoride?
The InChIKey is YEGLLGRZXZEZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF2N3O4S2/c3-12(8,9)1-5-2(7-6-1)13(4,10)11/h(H,5,6,7).
What are the key properties of 1H-1,2,4-triazole-3,5-disulfonyl fluoride?
1H-1,2,4-triazole-3,5-disulfonyl fluoride has a molecular weight of 233.18 g/mol, XLogP of -0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,2,4-triazole-3,5-disulfonyl fluoride is sourced from PubChem (CID 87264770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).