2-fluoro-3-methyl-N'-phenylsulfanyl-5-pyridin-3-ylbenzohydrazide

C19H16FN3OS — CID 142366221

IUPAC2-fluoro-3-methyl-N'-phenylsulfanyl-5-pyridin-3-ylbenzohydrazide
SMILESCc1cc(-c2cccnc2)cc(C(=O)NNSc2ccccc2)c1F
InChIInChI=1S/C19H16FN3OS/c1-13-10-15(14-6-5-9-21-12-14)11-17(18(13)20)19(24)22-23-25-16-7-3-2-4-8-16/h2-12,23H,1H3,(H,22,24)
InChIKeyISHUKPZNJYVDDG-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.14
Rot. Bonds5

About 2-fluoro-3-methyl-N'-phenylsulfanyl-5-pyridin-3-ylbenzohydrazide

2-fluoro-3-methyl-N'-phenylsulfanyl-5-pyridin-3-ylbenzohydrazide (PubChem CID 142366221) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N'-phenylsulfanyl-5-pyridin-3-ylbenzohydrazide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N'-phenylsulfanyl-5-pyridin-3-ylbenzohydrazide
PubChem CID142366221
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC Name2-fluoro-3-methyl-N'-phenylsulfanyl-5-pyridin-3-ylbenzohydrazide
SMILESCc1cc(-c2cccnc2)cc(C(=O)NNSc2ccccc2)c1F
InChIInChI=1S/C19H16FN3OS/c1-13-10-15(14-6-5-9-21-12-14)11-17(18(13)20)19(24)22-23-25-16-7-3-2-4-8-16/h2-12,23H,1H3,(H,22,24)
InChIKeyISHUKPZNJYVDDG-UHFFFAOYSA-N
XLogP4.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide
CID 165054999
2-fluoro-3-methyl-5-pyridin-3-ylpyridine
CID 46315737
ethyl 2-fluoro-3,5-dipyridin-3-ylbenzoate
CID 46317975
1-(2-methyl-4-pyridin-3-ylphenyl)ethanone
CID 20716212
2-fluoro-4-methyl-3-pyridin-3-ylbenzamide
CID 155144897
N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide
CID 59023819
3-(3,5-diphenylphenyl)pyridine
CID 141411458
5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103295849
N-ethyl-2-phenyl-5-pyridin-3-ylpyridine-3-carboxamide
CID 58539044
2-fluoro-5-pyridin-3-ylbenzoyl chloride
CID 46315592
2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 134018376
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N'-phenylsulfanyl-5-pyridin-3-ylbenzohydrazide?
The IUPAC name of 2-fluoro-3-methyl-N'-phenylsulfanyl-5-pyridin-3-ylbenzohydrazide (CID 142366221) is 2-fluoro-3-methyl-N'-phenylsulfanyl-5-pyridin-3-ylbenzohydrazide.
What is the SMILES notation for 2-fluoro-3-methyl-N'-phenylsulfanyl-5-pyridin-3-ylbenzohydrazide?
The canonical SMILES for 2-fluoro-3-methyl-N'-phenylsulfanyl-5-pyridin-3-ylbenzohydrazide is Cc1cc(-c2cccnc2)cc(C(=O)NNSc2ccccc2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N'-phenylsulfanyl-5-pyridin-3-ylbenzohydrazide?
The InChIKey is ISHUKPZNJYVDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3OS/c1-13-10-15(14-6-5-9-21-12-14)11-17(18(13)20)19(24)22-23-25-16-7-3-2-4-8-16/h2-12,23H,1H3,(H,22,24).
What are the key properties of 2-fluoro-3-methyl-N'-phenylsulfanyl-5-pyridin-3-ylbenzohydrazide?
2-fluoro-3-methyl-N'-phenylsulfanyl-5-pyridin-3-ylbenzohydrazide has a molecular weight of 353.42 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N'-phenylsulfanyl-5-pyridin-3-ylbenzohydrazide is sourced from PubChem (CID 142366221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).