2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-fluorophenyl)-2-sulfanylideneacetamide

C15H10Br2FN3O2S — CID 136625838

IUPAC2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-fluorophenyl)-2-sulfanylideneacetamide
SMILESO=C(Nc1ccc(F)cc1)C(=S)N/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H10Br2FN3O2S/c16-9-5-8(13(22)12(17)6-9)7-19-21-15(24)14(23)20-11-3-1-10(18)2-4-11/h1-7,22H,(H,20,23)(H,21,24)/b19-7+
InChIKeyUWGNWWOSPUMYQN-FBCYGCLPSA-N
MW475.14 g/mol
LogP3.95
Rot. Bonds3

About 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-fluorophenyl)-2-sulfanylideneacetamide

2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-fluorophenyl)-2-sulfanylideneacetamide (PubChem CID 136625838) has the molecular formula C15H10Br2FN3O2S and a molecular weight of 475.14 g/mol. Its IUPAC name is 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-fluorophenyl)-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-fluorophenyl)-2-sulfanylideneacetamide
PubChem CID136625838
Molecular FormulaC15H10Br2FN3O2S
Molecular Weight475.14 g/mol
Exact Mass472.88
IUPAC Name2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-fluorophenyl)-2-sulfanylideneacetamide
SMILESO=C(Nc1ccc(F)cc1)C(=S)N/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H10Br2FN3O2S/c16-9-5-8(13(22)12(17)6-9)7-19-21-15(24)14(23)20-11-3-1-10(18)2-4-11/h1-7,22H,(H,20,23)(H,21,24)/b19-7+
InChIKeyUWGNWWOSPUMYQN-FBCYGCLPSA-N
XLogP3.95
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.14
LogP ≤ 53.95
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'-(3,5-dibromo-2-hydroxybenzylidene)-4-[(4-methylphenyl)amino]butanohydrazide
CID 135478331
2,4-dibromo-6-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol
CID 135576878
2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazino)-2-oxo-N-phenylacetamide
CID 135606781
2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135822220
(E)-2-(3,5-Dibromo-2-hydroxybenzylidene)-N-(3-fluorophenyl)hydrazinecarbothioamide
CID 135550887
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorophenyl)carbamoylamino]acetamide
CID 135491243
2-[(4-Bromophenyl)amino]-N'-[(E)-(2-hydroxyphenyl)methylidene]acetohydrazide
CID 135699113
3-{N'-[(E)-(5-Bromo-2-hydroxyphenyl)methylidene]hydrazinecarbonyl}-N-(4-fluorophenyl)propanamide
CID 135821559
N-(3-{[(2E)-2-(3,5-dibromo-2-hydroxybenzylidene)hydrazinyl]carbonyl}phenyl)-4-fluorobenzamide
CID 135419940
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethyl)anilino]acetamide
CID 135923625
N-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide
CID 136625821
2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]acetamide
CID 136625822

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-fluorophenyl)-2-sulfanylideneacetamide?
The IUPAC name of 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-fluorophenyl)-2-sulfanylideneacetamide (CID 136625838) is 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-fluorophenyl)-2-sulfanylideneacetamide.
What is the SMILES notation for 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-fluorophenyl)-2-sulfanylideneacetamide?
The canonical SMILES for 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-fluorophenyl)-2-sulfanylideneacetamide is O=C(Nc1ccc(F)cc1)C(=S)N/N=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-fluorophenyl)-2-sulfanylideneacetamide?
The InChIKey is UWGNWWOSPUMYQN-FBCYGCLPSA-N. The full InChI is InChI=1S/C15H10Br2FN3O2S/c16-9-5-8(13(22)12(17)6-9)7-19-21-15(24)14(23)20-11-3-1-10(18)2-4-11/h1-7,22H,(H,20,23)(H,21,24)/b19-7+.
What are the key properties of 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-fluorophenyl)-2-sulfanylideneacetamide?
2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-fluorophenyl)-2-sulfanylideneacetamide has a molecular weight of 475.14 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-fluorophenyl)-2-sulfanylideneacetamide is sourced from PubChem (CID 136625838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).