N-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide

C15H12FN3O2S — CID 136625821

IUPACN-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide
SMILESO=C(Nc1ccc(F)cc1)C(=S)N/N=C/c1ccccc1O
InChIInChI=1S/C15H12FN3O2S/c16-11-5-7-12(8-6-11)18-14(21)15(22)19-17-9-10-3-1-2-4-13(10)20/h1-9,20H,(H,18,21)(H,19,22)/b17-9+
InChIKeyFZZQBYDZCFMKKR-RQZCQDPDSA-N
MW317.35 g/mol
LogP2.42
Rot. Bonds3

About N-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide

N-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide (PubChem CID 136625821) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide
PubChem CID136625821
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC NameN-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide
SMILESO=C(Nc1ccc(F)cc1)C(=S)N/N=C/c1ccccc1O
InChIInChI=1S/C15H12FN3O2S/c16-11-5-7-12(8-6-11)18-14(21)15(22)19-17-9-10-3-1-2-4-13(10)20/h1-9,20H,(H,18,21)(H,19,22)/b17-9+
InChIKeyFZZQBYDZCFMKKR-RQZCQDPDSA-N
XLogP2.42
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 3766078
2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-pyridin-2-yl-2-sulfanylideneacetamide
CID 135938483
3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136746485
3-[(4-fluorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135957362
N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 135685457
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 135684849
1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea
CID 137250213
1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea
CID 3446799
N-(4-fluorophenyl)-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6263424
1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
CID 135436225
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 137095702
4-(cyclohexanecarbonylamino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136887197

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide (CID 136625821) is N-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide is O=C(Nc1ccc(F)cc1)C(=S)N/N=C/c1ccccc1O.
What is the InChIKey of N-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide?
The InChIKey is FZZQBYDZCFMKKR-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-11-5-7-12(8-6-11)18-14(21)15(22)19-17-9-10-3-1-2-4-13(10)20/h1-9,20H,(H,18,21)(H,19,22)/b17-9+.
What are the key properties of N-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide?
N-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide has a molecular weight of 317.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide is sourced from PubChem (CID 136625821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).