5-(1-phenoxyethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride

C10H10FN3O3S — CID 23337881

IUPAC5-(1-phenoxyethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride
SMILESCC(Oc1ccccc1)c1nc(S(=O)(=O)F)n[nH]1
InChIInChI=1S/C10H10FN3O3S/c1-7(17-8-5-3-2-4-6-8)9-12-10(14-13-9)18(11,15)16/h2-7H,1H3,(H,12,13,14)
InChIKeyUUDAPXICWSIADO-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.60
Rot. Bonds4

About 5-(1-phenoxyethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride

5-(1-phenoxyethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 23337881) has the molecular formula C10H10FN3O3S and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-(1-phenoxyethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-(1-phenoxyethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID23337881
Molecular FormulaC10H10FN3O3S
Molecular Weight271.27 g/mol
Exact Mass271.04
IUPAC Name5-(1-phenoxyethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride
SMILESCC(Oc1ccccc1)c1nc(S(=O)(=O)F)n[nH]1
InChIInChI=1S/C10H10FN3O3S/c1-7(17-8-5-3-2-4-6-8)9-12-10(14-13-9)18(11,15)16/h2-7H,1H3,(H,12,13,14)
InChIKeyUUDAPXICWSIADO-UHFFFAOYSA-N
XLogP1.60
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenoxyethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 5-(1-phenoxyethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride (CID 23337881) is 5-(1-phenoxyethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 5-(1-phenoxyethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 5-(1-phenoxyethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride is CC(Oc1ccccc1)c1nc(S(=O)(=O)F)n[nH]1.
What is the InChIKey of 5-(1-phenoxyethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is UUDAPXICWSIADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3S/c1-7(17-8-5-3-2-4-6-8)9-12-10(14-13-9)18(11,15)16/h2-7H,1H3,(H,12,13,14).
What are the key properties of 5-(1-phenoxyethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride?
5-(1-phenoxyethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 271.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenoxyethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 23337881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).