3-(2-ethyl-1,2,4-triazol-3-yl)furan-2-sulfonyl fluoride

C8H8FN3O3S — CID 165451071

IUPAC3-(2-ethyl-1,2,4-triazol-3-yl)furan-2-sulfonyl fluoride
SMILESCCn1ncnc1-c1ccoc1S(=O)(=O)F
InChIInChI=1S/C8H8FN3O3S/c1-2-12-7(10-5-11-12)6-3-4-15-8(6)16(9,13)14/h3-5H,2H2,1H3
InChIKeyHBUGNEJNEGFJQL-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.22
Rot. Bonds3

About 3-(2-ethyl-1,2,4-triazol-3-yl)furan-2-sulfonyl fluoride

3-(2-ethyl-1,2,4-triazol-3-yl)furan-2-sulfonyl fluoride (PubChem CID 165451071) has the molecular formula C8H8FN3O3S and a molecular weight of 245.23 g/mol. Its IUPAC name is 3-(2-ethyl-1,2,4-triazol-3-yl)furan-2-sulfonyl fluoride.

Molecular Properties

Compound Name3-(2-ethyl-1,2,4-triazol-3-yl)furan-2-sulfonyl fluoride
PubChem CID165451071
Molecular FormulaC8H8FN3O3S
Molecular Weight245.23 g/mol
Exact Mass245.03
IUPAC Name3-(2-ethyl-1,2,4-triazol-3-yl)furan-2-sulfonyl fluoride
SMILESCCn1ncnc1-c1ccoc1S(=O)(=O)F
InChIInChI=1S/C8H8FN3O3S/c1-2-12-7(10-5-11-12)6-3-4-15-8(6)16(9,13)14/h3-5H,2H2,1H3
InChIKeyHBUGNEJNEGFJQL-UHFFFAOYSA-N
XLogP1.22
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-1,2,4-triazol-3-yl)furan-2-sulfonyl fluoride?
The IUPAC name of 3-(2-ethyl-1,2,4-triazol-3-yl)furan-2-sulfonyl fluoride (CID 165451071) is 3-(2-ethyl-1,2,4-triazol-3-yl)furan-2-sulfonyl fluoride.
What is the SMILES notation for 3-(2-ethyl-1,2,4-triazol-3-yl)furan-2-sulfonyl fluoride?
The canonical SMILES for 3-(2-ethyl-1,2,4-triazol-3-yl)furan-2-sulfonyl fluoride is CCn1ncnc1-c1ccoc1S(=O)(=O)F.
What is the InChIKey of 3-(2-ethyl-1,2,4-triazol-3-yl)furan-2-sulfonyl fluoride?
The InChIKey is HBUGNEJNEGFJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O3S/c1-2-12-7(10-5-11-12)6-3-4-15-8(6)16(9,13)14/h3-5H,2H2,1H3.
What are the key properties of 3-(2-ethyl-1,2,4-triazol-3-yl)furan-2-sulfonyl fluoride?
3-(2-ethyl-1,2,4-triazol-3-yl)furan-2-sulfonyl fluoride has a molecular weight of 245.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-1,2,4-triazol-3-yl)furan-2-sulfonyl fluoride is sourced from PubChem (CID 165451071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).