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'}

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Related Compounds

3-Pyridinecarboxylic acid, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 6862672
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N'-(2-thienylcarbonyl)nicotinohydrazide
CID 686151
2-chloro-N'-(3-pyridinylcarbonyl)benzohydrazide
CID 721347
N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2117002
N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2537444
N'-(2,5-dichlorophenyl)-2-methylsulfanylpyridine-3-carbohydrazide
CID 2810930
2-(4-chlorophenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6895975
5-chloro-N'-[(Z)-pyridin-3-ylmethylidene]thiophene-2-carbohydrazide
CID 25237230
N'-(2-phenylsulfanylacetyl)pyridine-4-carbohydrazide
CID 965573
4-chloro-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
CID 2523420
N'-{3-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}pyridine-3-carbohydrazide
CID 1924956

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).