2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide

C16H13Cl3N2O2S — CID 7969708

IUPAC2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl3N2O2S/c17-11-3-1-10(2-4-11)7-15(22)20-21-16(23)9-24-14-8-12(18)5-6-13(14)19/h1-6,8H,7,9H2,(H,20,22)(H,21,23)
InChIKeyMRMQBBAWHBDDGO-UHFFFAOYSA-N
MW403.72 g/mol
LogP4.13
Rot. Bonds5

About 2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide

2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide (PubChem CID 7969708) has the molecular formula C16H13Cl3N2O2S and a molecular weight of 403.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide
PubChem CID7969708
Molecular FormulaC16H13Cl3N2O2S
Molecular Weight403.72 g/mol
Exact Mass401.98
IUPAC Name2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl3N2O2S/c17-11-3-1-10(2-4-11)7-15(22)20-21-16(23)9-24-14-8-12(18)5-6-13(14)19/h1-6,8H,7,9H2,(H,20,22)(H,21,23)
InChIKeyMRMQBBAWHBDDGO-UHFFFAOYSA-N
XLogP4.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.72
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7969663
2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 2536420
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide
CID 24641200
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-(3,4-dimethoxyphenyl)propanehydrazide
CID 24641173
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 83029637
5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide
CID 24641131
2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide
CID 24641126
2-[4-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]acetic acid
CID 20989536
2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide
CID 60627025
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide
CID 9091295
2-(2,5-dichlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390208
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 2085866

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide?
The IUPAC name of 2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide (CID 7969708) is 2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide is O=C(CSc1cc(Cl)ccc1Cl)NNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide?
The InChIKey is MRMQBBAWHBDDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2O2S/c17-11-3-1-10(2-4-11)7-15(22)20-21-16(23)9-24-14-8-12(18)5-6-13(14)19/h1-6,8H,7,9H2,(H,20,22)(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide?
2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide has a molecular weight of 403.72 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide is sourced from PubChem (CID 7969708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).