1-(4-fluorophenyl)sulfonyl-3-phenyl-1,2,4-triazole

C14H10FN3O2S — CID 155213272

IUPAC1-(4-fluorophenyl)sulfonyl-3-phenyl-1,2,4-triazole
SMILESO=S(=O)(c1ccc(F)cc1)n1cnc(-c2ccccc2)n1
InChIInChI=1S/C14H10FN3O2S/c15-12-6-8-13(9-7-12)21(19,20)18-10-16-14(17-18)11-4-2-1-3-5-11/h1-10H
InChIKeyCCQJUOGLJZDSGU-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.32
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-3-phenyl-1,2,4-triazole

1-(4-fluorophenyl)sulfonyl-3-phenyl-1,2,4-triazole (PubChem CID 155213272) has the molecular formula C14H10FN3O2S and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-phenyl-1,2,4-triazole
PubChem CID155213272
Molecular FormulaC14H10FN3O2S
Molecular Weight303.32 g/mol
Exact Mass303.05
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-phenyl-1,2,4-triazole
SMILESO=S(=O)(c1ccc(F)cc1)n1cnc(-c2ccccc2)n1
InChIInChI=1S/C14H10FN3O2S/c15-12-6-8-13(9-7-12)21(19,20)18-10-16-14(17-18)11-4-2-1-3-5-11/h1-10H
InChIKeyCCQJUOGLJZDSGU-UHFFFAOYSA-N
XLogP2.32
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-phenyl-1,2,4-triazole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-phenyl-1,2,4-triazole (CID 155213272) is 1-(4-fluorophenyl)sulfonyl-3-phenyl-1,2,4-triazole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-phenyl-1,2,4-triazole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-phenyl-1,2,4-triazole is O=S(=O)(c1ccc(F)cc1)n1cnc(-c2ccccc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-phenyl-1,2,4-triazole?
The InChIKey is CCQJUOGLJZDSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S/c15-12-6-8-13(9-7-12)21(19,20)18-10-16-14(17-18)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-phenyl-1,2,4-triazole?
1-(4-fluorophenyl)sulfonyl-3-phenyl-1,2,4-triazole has a molecular weight of 303.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-phenyl-1,2,4-triazole is sourced from PubChem (CID 155213272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).