N'-[2-(4-chlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide

C14H12ClN3O2S — CID 2233073

IUPACN'-[2-(4-chlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide
SMILESO=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccnc1
InChIInChI=1S/C14H12ClN3O2S/c15-11-3-5-12(6-4-11)21-9-13(19)17-18-14(20)10-2-1-7-16-8-10/h1-8H,9H2,(H,17,19)(H,18,20)
InChIKeyPSCFQLLWZASCTF-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.29
Rot. Bonds4

About N'-[2-(4-chlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide

N'-[2-(4-chlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide (PubChem CID 2233073) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide
PubChem CID2233073
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC NameN'-[2-(4-chlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide
SMILESO=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccnc1
InChIInChI=1S/C14H12ClN3O2S/c15-11-3-5-12(6-4-11)21-9-13(19)17-18-14(20)10-2-1-7-16-8-10/h1-8H,9H2,(H,17,19)(H,18,20)
InChIKeyPSCFQLLWZASCTF-UHFFFAOYSA-N
XLogP2.29
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(4-chlorophenyl)sulfanylacetyl]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 N'-[2-(4-chlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide (CID 2233073) is N'-[2-(4-chlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide is O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccnc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide?
The InChIKey is PSCFQLLWZASCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c15-11-3-5-12(6-4-11)21-9-13(19)17-18-14(20)10-2-1-7-16-8-10/h1-8H,9H2,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(4-chlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide?
N'-[2-(4-chlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide has a molecular weight of 321.79 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 2233073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).