2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide

C16H13Cl3N2O2S2 — CID 24641126

IUPAC2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide
SMILESCSc1ccc(Cl)c(C(=O)NNC(=O)CSc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H13Cl3N2O2S2/c1-24-10-3-5-12(18)11(7-10)16(23)21-20-15(22)8-25-14-6-9(17)2-4-13(14)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyUEUFSLSJEAAVHR-UHFFFAOYSA-N
MW435.79 g/mol
LogP4.92
Rot. Bonds5

About 2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide

2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide (PubChem CID 24641126) has the molecular formula C16H13Cl3N2O2S2 and a molecular weight of 435.79 g/mol. Its IUPAC name is 2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide
PubChem CID24641126
Molecular FormulaC16H13Cl3N2O2S2
Molecular Weight435.79 g/mol
Exact Mass433.95
IUPAC Name2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide
SMILESCSc1ccc(Cl)c(C(=O)NNC(=O)CSc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H13Cl3N2O2S2/c1-24-10-3-5-12(18)11(7-10)16(23)21-20-15(22)8-25-14-6-9(17)2-4-13(14)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyUEUFSLSJEAAVHR-UHFFFAOYSA-N
XLogP4.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.79
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide
CID 9091295
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide
CID 24641183
5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide
CID 24641131
2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide
CID 7969708
3-[[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]carbamoyl]-N,N,4-trimethylbenzenesulfonamide
CID 22108686
5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331
N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 24641164
2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide
CID 4806698
2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide
CID 26614007
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 24609308
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide
CID 24641200
2,5-dichloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
CID 7910627

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide (CID 24641126) is 2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide is CSc1ccc(Cl)c(C(=O)NNC(=O)CSc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide?
The InChIKey is UEUFSLSJEAAVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2O2S2/c1-24-10-3-5-12(18)11(7-10)16(23)21-20-15(22)8-25-14-6-9(17)2-4-13(14)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide?
2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide has a molecular weight of 435.79 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide is sourced from PubChem (CID 24641126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).