4-phenyl-1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole

C15H14N4O2S2 — CID 86265015

IUPAC4-phenyl-1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole
SMILESO=S(=O)(c1cccs1)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C15H14N4O2S2/c20-23(21,15-7-4-8-22-15)18-9-13(10-18)19-11-14(16-17-19)12-5-2-1-3-6-12/h1-8,11,13H,9-10H2
InChIKeyGDIPPDFBGCMYAW-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.25
Rot. Bonds4

About 4-phenyl-1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole

4-phenyl-1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole (PubChem CID 86265015) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 4-phenyl-1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole.

Molecular Properties

Compound Name4-phenyl-1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole
PubChem CID86265015
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC Name4-phenyl-1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole
SMILESO=S(=O)(c1cccs1)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C15H14N4O2S2/c20-23(21,15-7-4-8-22-15)18-9-13(10-18)19-11-14(16-17-19)12-5-2-1-3-6-12/h1-8,11,13H,9-10H2
InChIKeyGDIPPDFBGCMYAW-UHFFFAOYSA-N
XLogP2.25
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-phenyl-1-(1-thiophen-2-ylsulfonylazetidin-3-yl)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-phenyl-1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole?
The IUPAC name of 4-phenyl-1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole (CID 86265015) is 4-phenyl-1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole.
What is the SMILES notation for 4-phenyl-1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole?
The canonical SMILES for 4-phenyl-1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole is O=S(=O)(c1cccs1)N1CC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of 4-phenyl-1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole?
The InChIKey is GDIPPDFBGCMYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c20-23(21,15-7-4-8-22-15)18-9-13(10-18)19-11-14(16-17-19)12-5-2-1-3-6-12/h1-8,11,13H,9-10H2.
What are the key properties of 4-phenyl-1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole?
4-phenyl-1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole has a molecular weight of 346.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole is sourced from PubChem (CID 86265015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).