4-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hydroxybenzamide

C17H15FN4O2S — CID 135357626

IUPAC4-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hydroxybenzamide
SMILESCCn1c(Sc2ccc(C(=O)NO)cc2)nnc1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN4O2S/c1-2-22-15(11-3-7-13(18)8-4-11)19-20-17(22)25-14-9-5-12(6-10-14)16(23)21-24/h3-10,24H,2H2,1H3,(H,21,23)
InChIKeyJXAGTYCOYIZUGQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.37
Rot. Bonds5

About 4-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hydroxybenzamide

4-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hydroxybenzamide (PubChem CID 135357626) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hydroxybenzamide
PubChem CID135357626
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC Name4-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hydroxybenzamide
SMILESCCn1c(Sc2ccc(C(=O)NO)cc2)nnc1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN4O2S/c1-2-22-15(11-3-7-13(18)8-4-11)19-20-17(22)25-14-9-5-12(6-10-14)16(23)21-24/h3-10,24H,2H2,1H3,(H,21,23)
InChIKeyJXAGTYCOYIZUGQ-UHFFFAOYSA-N
XLogP3.37
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hydroxybenzamide 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-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hydroxybenzamide (CID 135357626) is 4-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hydroxybenzamide is CCn1c(Sc2ccc(C(=O)NO)cc2)nnc1-c1ccc(F)cc1.
What is the InChIKey of 4-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hydroxybenzamide?
The InChIKey is JXAGTYCOYIZUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c1-2-22-15(11-3-7-13(18)8-4-11)19-20-17(22)25-14-9-5-12(6-10-14)16(23)21-24/h3-10,24H,2H2,1H3,(H,21,23).
What are the key properties of 4-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hydroxybenzamide?
4-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hydroxybenzamide has a molecular weight of 358.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hydroxybenzamide is sourced from PubChem (CID 135357626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).