N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide

C20H16ClN3O2S — CID 24537705

IUPACN'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccn1)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H16ClN3O2S/c21-16-8-10-17(11-9-16)27-13-14-4-6-15(7-5-14)19(25)23-24-20(26)18-3-1-2-12-22-18/h1-12H,13H2,(H,23,25)(H,24,26)
InChIKeyMXZQWUUOVSGPJQ-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.10
Rot. Bonds5

About N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide

N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide (PubChem CID 24537705) has the molecular formula C20H16ClN3O2S and a molecular weight of 397.89 g/mol. Its IUPAC name is N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide
PubChem CID24537705
Molecular FormulaC20H16ClN3O2S
Molecular Weight397.89 g/mol
Exact Mass397.07
IUPAC NameN'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccn1)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H16ClN3O2S/c21-16-8-10-17(11-9-16)27-13-14-4-6-15(7-5-14)19(25)23-24-20(26)18-3-1-2-12-22-18/h1-12H,13H2,(H,23,25)(H,24,26)
InChIKeyMXZQWUUOVSGPJQ-UHFFFAOYSA-N
XLogP4.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.10
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

N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide
CID 9331191
N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-5-methylpyrazine-2-carbohydrazide
CID 43002203
N'-[2-(2-chlorophenoxy)acetyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzohydrazide
CID 16546809
N-[4-[[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 43070192
(4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 139753747
N-tert-butyl-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7987976
4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide
CID 27648094
N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide
CID 3977689
N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 3097669
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 43908168
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7948805
2-N',6-N'-bis(4-chlorobenzoyl)pyridine-2,6-dicarbohydrazide
CID 43063875

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide (CID 24537705) is N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide is O=C(NNC(=O)c1ccccn1)c1ccc(CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide?
The InChIKey is MXZQWUUOVSGPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S/c21-16-8-10-17(11-9-16)27-13-14-4-6-15(7-5-14)19(25)23-24-20(26)18-3-1-2-12-22-18/h1-12H,13H2,(H,23,25)(H,24,26).
What are the key properties of N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide?
N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide has a molecular weight of 397.89 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 24537705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).