2-(4-chlorophenyl)sulfanyl-N'-[2-(4-fluorophenoxy)propanoyl]pyridine-3-carbohydrazide

C21H17ClFN3O3S — CID 43043405

IUPAC2-(4-chlorophenyl)sulfanyl-N'-[2-(4-fluorophenoxy)propanoyl]pyridine-3-carbohydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C21H17ClFN3O3S/c1-13(29-16-8-6-15(23)7-9-16)19(27)25-26-20(28)18-3-2-12-24-21(18)30-17-10-4-14(22)5-11-17/h2-13H,1H3,(H,25,27)(H,26,28)
InChIKeyZSAHFDWKUPNSCO-UHFFFAOYSA-N
MW445.90 g/mol
LogP4.25
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N'-[2-(4-fluorophenoxy)propanoyl]pyridine-3-carbohydrazide

2-(4-chlorophenyl)sulfanyl-N'-[2-(4-fluorophenoxy)propanoyl]pyridine-3-carbohydrazide (PubChem CID 43043405) has the molecular formula C21H17ClFN3O3S and a molecular weight of 445.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N'-[2-(4-fluorophenoxy)propanoyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N'-[2-(4-fluorophenoxy)propanoyl]pyridine-3-carbohydrazide
PubChem CID43043405
Molecular FormulaC21H17ClFN3O3S
Molecular Weight445.90 g/mol
Exact Mass445.07
IUPAC Name2-(4-chlorophenyl)sulfanyl-N'-[2-(4-fluorophenoxy)propanoyl]pyridine-3-carbohydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C21H17ClFN3O3S/c1-13(29-16-8-6-15(23)7-9-16)19(27)25-26-20(28)18-3-2-12-24-21(18)30-17-10-4-14(22)5-11-17/h2-13H,1H3,(H,25,27)(H,26,28)
InChIKeyZSAHFDWKUPNSCO-UHFFFAOYSA-N
XLogP4.25
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.90
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)sulfanyl-N'-[2-(4-fluorophenoxy)propanoyl]pyridine-3-carbohydrazide 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 2-(4-chlorophenyl)sulfanyl-N'-[2-(4-fluorophenoxy)propanoyl]pyridine-3-carbohydrazide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N'-[2-(4-fluorophenoxy)propanoyl]pyridine-3-carbohydrazide (CID 43043405) is 2-(4-chlorophenyl)sulfanyl-N'-[2-(4-fluorophenoxy)propanoyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N'-[2-(4-fluorophenoxy)propanoyl]pyridine-3-carbohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N'-[2-(4-fluorophenoxy)propanoyl]pyridine-3-carbohydrazide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccnc1Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N'-[2-(4-fluorophenoxy)propanoyl]pyridine-3-carbohydrazide?
The InChIKey is ZSAHFDWKUPNSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O3S/c1-13(29-16-8-6-15(23)7-9-16)19(27)25-26-20(28)18-3-2-12-24-21(18)30-17-10-4-14(22)5-11-17/h2-13H,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N'-[2-(4-fluorophenoxy)propanoyl]pyridine-3-carbohydrazide?
2-(4-chlorophenyl)sulfanyl-N'-[2-(4-fluorophenoxy)propanoyl]pyridine-3-carbohydrazide has a molecular weight of 445.90 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N'-[2-(4-fluorophenoxy)propanoyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 43043405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).