[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate

C17H14BrClN2O4S — CID 30109513

IUPAC[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
SMILESO=C(COC(=O)CSc1ccccc1Cl)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrClN2O4S/c18-12-7-5-11(6-8-12)17(24)21-20-15(22)9-25-16(23)10-26-14-4-2-1-3-13(14)19/h1-8H,9-10H2,(H,20,22)(H,21,24)
InChIKeyZRBRDXIVVXRGQK-UHFFFAOYSA-N
MW457.73 g/mol
LogP3.20
Rot. Bonds6

About [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate

[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate (PubChem CID 30109513) has the molecular formula C17H14BrClN2O4S and a molecular weight of 457.73 g/mol. Its IUPAC name is [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
PubChem CID30109513
Molecular FormulaC17H14BrClN2O4S
Molecular Weight457.73 g/mol
Exact Mass455.95
IUPAC Name[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
SMILESO=C(COC(=O)CSc1ccccc1Cl)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrClN2O4S/c18-12-7-5-11(6-8-12)17(24)21-20-15(22)9-25-16(23)10-26-14-4-2-1-3-13(14)19/h1-8H,9-10H2,(H,20,22)(H,21,24)
InChIKeyZRBRDXIVVXRGQK-UHFFFAOYSA-N
XLogP3.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.73
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-(2-chloroanilino)-4-oxobutanoate
CID 17258492
4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 2591603
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 3-benzamido-3-phenylpropanoate
CID 16503850
[2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
CID 30390177
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenylbutanoate
CID 18207921
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2536174
4-bromo-N'-[2-(2-chlorophenyl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide
CID 31421529
[2-(2-chloroanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7355317
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate
CID 2511431
[2-(4-bromophenyl)-2-oxoethyl] 2-(2-nitrophenyl)sulfanylacetate
CID 7992512
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 17496466
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7229656

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate?
The IUPAC name of [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate (CID 30109513) is [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate.
What is the SMILES notation for [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate?
The canonical SMILES for [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate is O=C(COC(=O)CSc1ccccc1Cl)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate?
The InChIKey is ZRBRDXIVVXRGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O4S/c18-12-7-5-11(6-8-12)17(24)21-20-15(22)9-25-16(23)10-26-14-4-2-1-3-13(14)19/h1-8H,9-10H2,(H,20,22)(H,21,24).
What are the key properties of [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate?
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate has a molecular weight of 457.73 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate is sourced from PubChem (CID 30109513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).