5-fluoro-1H-1,2,4-triazole-3-sulfonyl fluoride;sulfur dioxide

C2HF2N3O4S2 — CID 123268152

IUPAC5-fluoro-1H-1,2,4-triazole-3-sulfonyl fluoride;sulfur dioxide
SMILESO=S(=O)(F)c1n[nH]c(F)n1.O=S=O
InChIInChI=1S/C2HF2N3O2S.O2S/c3-1-5-2(7-6-1)10(4,8)9;1-3-2/h(H,5,6,7);
InChIKeyICDHGUBGZBWNDO-UHFFFAOYSA-N
MW233.18 g/mol
LogP-1.07
Rot. Bonds1

About 5-fluoro-1H-1,2,4-triazole-3-sulfonyl fluoride;sulfur dioxide

5-fluoro-1H-1,2,4-triazole-3-sulfonyl fluoride;sulfur dioxide (PubChem CID 123268152) has the molecular formula C2HF2N3O4S2 and a molecular weight of 233.18 g/mol. Its IUPAC name is 5-fluoro-1H-1,2,4-triazole-3-sulfonyl fluoride;sulfur dioxide.

Molecular Properties

Compound Name5-fluoro-1H-1,2,4-triazole-3-sulfonyl fluoride;sulfur dioxide
PubChem CID123268152
Molecular FormulaC2HF2N3O4S2
Molecular Weight233.18 g/mol
Exact Mass232.94
IUPAC Name5-fluoro-1H-1,2,4-triazole-3-sulfonyl fluoride;sulfur dioxide
SMILESO=S(=O)(F)c1n[nH]c(F)n1.O=S=O
InChIInChI=1S/C2HF2N3O2S.O2S/c3-1-5-2(7-6-1)10(4,8)9;1-3-2/h(H,5,6,7);
InChIKeyICDHGUBGZBWNDO-UHFFFAOYSA-N
XLogP-1.07
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-1,2,4-triazole-3-sulfonyl fluoride;sulfur dioxide?
The IUPAC name of 5-fluoro-1H-1,2,4-triazole-3-sulfonyl fluoride;sulfur dioxide (CID 123268152) is 5-fluoro-1H-1,2,4-triazole-3-sulfonyl fluoride;sulfur dioxide.
What is the SMILES notation for 5-fluoro-1H-1,2,4-triazole-3-sulfonyl fluoride;sulfur dioxide?
The canonical SMILES for 5-fluoro-1H-1,2,4-triazole-3-sulfonyl fluoride;sulfur dioxide is O=S(=O)(F)c1n[nH]c(F)n1.O=S=O.
What is the InChIKey of 5-fluoro-1H-1,2,4-triazole-3-sulfonyl fluoride;sulfur dioxide?
The InChIKey is ICDHGUBGZBWNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF2N3O2S.O2S/c3-1-5-2(7-6-1)10(4,8)9;1-3-2/h(H,5,6,7);.
What are the key properties of 5-fluoro-1H-1,2,4-triazole-3-sulfonyl fluoride;sulfur dioxide?
5-fluoro-1H-1,2,4-triazole-3-sulfonyl fluoride;sulfur dioxide has a molecular weight of 233.18 g/mol, XLogP of -1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-1,2,4-triazole-3-sulfonyl fluoride;sulfur dioxide is sourced from PubChem (CID 123268152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).