4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide

C14H13FN2O2S — CID 107459185

IUPAC4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide
SMILESNNC(=O)c1ccc(F)c(CSc2ccccc2O)c1
InChIInChI=1S/C14H13FN2O2S/c15-11-6-5-9(14(19)17-16)7-10(11)8-20-13-4-2-1-3-12(13)18/h1-7,18H,8,16H2,(H,17,19)
InChIKeyYGCATLISPUHBRJ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.43
Rot. Bonds4

About 4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide

4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide (PubChem CID 107459185) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide
PubChem CID107459185
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC Name4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide
SMILESNNC(=O)c1ccc(F)c(CSc2ccccc2O)c1
InChIInChI=1S/C14H13FN2O2S/c15-11-6-5-9(14(19)17-16)7-10(11)8-20-13-4-2-1-3-12(13)18/h1-7,18H,8,16H2,(H,17,19)
InChIKeyYGCATLISPUHBRJ-UHFFFAOYSA-N
XLogP2.43
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-amino-3-methylphenyl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459216
3-[(4-aminophenyl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459173
3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide
CID 55213516
4-fluoro-3-[(2-fluorophenyl)sulfanylmethyl]benzoic acid
CID 63098399
3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459124
4-fluoro-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzohydrazide
CID 107459092
3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459175
5-[(2-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63589044
4-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide
CID 107459054
4-fluoro-3-(oxetan-3-ylsulfanylmethyl)benzohydrazide
CID 107459218
3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458406
3-amino-4-[(2-fluorophenyl)methylsulfanyl]benzoate
CID 3476853

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide?
The IUPAC name of 4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide (CID 107459185) is 4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide?
The canonical SMILES for 4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide is NNC(=O)c1ccc(F)c(CSc2ccccc2O)c1.
What is the InChIKey of 4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide?
The InChIKey is YGCATLISPUHBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c15-11-6-5-9(14(19)17-16)7-10(11)8-20-13-4-2-1-3-12(13)18/h1-7,18H,8,16H2,(H,17,19).
What are the key properties of 4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide?
4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide has a molecular weight of 292.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide is sourced from PubChem (CID 107459185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).