4-[5-(4-fluorophenyl)-3-(furan-2-ylsulfonyl)triazol-4-yl]pyridine

C17H11FN4O3S — CID 10133729

IUPAC4-[5-(4-fluorophenyl)-3-(furan-2-ylsulfonyl)triazol-4-yl]pyridine
SMILESO=S(=O)(c1ccco1)n1nnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C17H11FN4O3S/c18-14-5-3-12(4-6-14)16-17(13-7-9-19-10-8-13)22(21-20-16)26(23,24)15-2-1-11-25-15/h1-11H
InChIKeyGZBDMNMKHXCJDD-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.98
Rot. Bonds4

About 4-[5-(4-fluorophenyl)-3-(furan-2-ylsulfonyl)triazol-4-yl]pyridine

4-[5-(4-fluorophenyl)-3-(furan-2-ylsulfonyl)triazol-4-yl]pyridine (PubChem CID 10133729) has the molecular formula C17H11FN4O3S and a molecular weight of 370.37 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(furan-2-ylsulfonyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(furan-2-ylsulfonyl)triazol-4-yl]pyridine
PubChem CID10133729
Molecular FormulaC17H11FN4O3S
Molecular Weight370.37 g/mol
Exact Mass370.05
IUPAC Name4-[5-(4-fluorophenyl)-3-(furan-2-ylsulfonyl)triazol-4-yl]pyridine
SMILESO=S(=O)(c1ccco1)n1nnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C17H11FN4O3S/c18-14-5-3-12(4-6-14)16-17(13-7-9-19-10-8-13)22(21-20-16)26(23,24)15-2-1-11-25-15/h1-11H
InChIKeyGZBDMNMKHXCJDD-UHFFFAOYSA-N
XLogP2.98
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-(4-fluorophenyl)-3-(furan-2-ylsulfonyl)triazol-4-yl]pyridine 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-[5-(4-fluorophenyl)-3-(furan-2-ylsulfonyl)triazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(furan-2-ylsulfonyl)triazol-4-yl]pyridine (CID 10133729) is 4-[5-(4-fluorophenyl)-3-(furan-2-ylsulfonyl)triazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(furan-2-ylsulfonyl)triazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(furan-2-ylsulfonyl)triazol-4-yl]pyridine is O=S(=O)(c1ccco1)n1nnc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(furan-2-ylsulfonyl)triazol-4-yl]pyridine?
The InChIKey is GZBDMNMKHXCJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O3S/c18-14-5-3-12(4-6-14)16-17(13-7-9-19-10-8-13)22(21-20-16)26(23,24)15-2-1-11-25-15/h1-11H.
What are the key properties of 4-[5-(4-fluorophenyl)-3-(furan-2-ylsulfonyl)triazol-4-yl]pyridine?
4-[5-(4-fluorophenyl)-3-(furan-2-ylsulfonyl)triazol-4-yl]pyridine has a molecular weight of 370.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-(furan-2-ylsulfonyl)triazol-4-yl]pyridine is sourced from PubChem (CID 10133729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).