4-(2-fluorosulfonyloxyphenyl)-2H-triazole

C8H6FN3O3S — CID 177010653

IUPAC4-(2-fluorosulfonyloxyphenyl)-2H-triazole
SMILESO=S(=O)(F)Oc1ccccc1-c1cn[nH]n1
InChIInChI=1S/C8H6FN3O3S/c9-16(13,14)15-8-4-2-1-3-6(8)7-5-10-12-11-7/h1-5H,(H,10,11,12)
InChIKeyHAMPEHHAFAQYDE-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.06
Rot. Bonds3

About 4-(2-fluorosulfonyloxyphenyl)-2H-triazole

4-(2-fluorosulfonyloxyphenyl)-2H-triazole (PubChem CID 177010653) has the molecular formula C8H6FN3O3S and a molecular weight of 243.22 g/mol. Its IUPAC name is 4-(2-fluorosulfonyloxyphenyl)-2H-triazole.

Molecular Properties

Compound Name4-(2-fluorosulfonyloxyphenyl)-2H-triazole
PubChem CID177010653
Molecular FormulaC8H6FN3O3S
Molecular Weight243.22 g/mol
Exact Mass243.01
IUPAC Name4-(2-fluorosulfonyloxyphenyl)-2H-triazole
SMILESO=S(=O)(F)Oc1ccccc1-c1cn[nH]n1
InChIInChI=1S/C8H6FN3O3S/c9-16(13,14)15-8-4-2-1-3-6(8)7-5-10-12-11-7/h1-5H,(H,10,11,12)
InChIKeyHAMPEHHAFAQYDE-UHFFFAOYSA-N
XLogP1.06
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-fluorosulfonyloxyphenyl)-2H-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorosulfonyloxyphenyl)-2H-triazole?
The IUPAC name of 4-(2-fluorosulfonyloxyphenyl)-2H-triazole (CID 177010653) is 4-(2-fluorosulfonyloxyphenyl)-2H-triazole.
What is the SMILES notation for 4-(2-fluorosulfonyloxyphenyl)-2H-triazole?
The canonical SMILES for 4-(2-fluorosulfonyloxyphenyl)-2H-triazole is O=S(=O)(F)Oc1ccccc1-c1cn[nH]n1.
What is the InChIKey of 4-(2-fluorosulfonyloxyphenyl)-2H-triazole?
The InChIKey is HAMPEHHAFAQYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O3S/c9-16(13,14)15-8-4-2-1-3-6(8)7-5-10-12-11-7/h1-5H,(H,10,11,12).
What are the key properties of 4-(2-fluorosulfonyloxyphenyl)-2H-triazole?
4-(2-fluorosulfonyloxyphenyl)-2H-triazole has a molecular weight of 243.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorosulfonyloxyphenyl)-2H-triazole is sourced from PubChem (CID 177010653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).