4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide

C16H15ClN2O3S — CID 26649394

IUPAC4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
SMILESCOc1ccc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O3S/c1-22-13-6-8-14(9-7-13)23-10-15(20)18-19-16(21)11-2-4-12(17)5-3-11/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyPQPZTKOOSQNCEG-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.90
Rot. Bonds5

About 4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide

4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide (PubChem CID 26649394) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
PubChem CID26649394
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
SMILESCOc1ccc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O3S/c1-22-13-6-8-14(9-7-13)23-10-15(20)18-19-16(21)11-2-4-12(17)5-3-11/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyPQPZTKOOSQNCEG-UHFFFAOYSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.90
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

4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 35040935
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide
CID 7434037
4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 4832063
4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 7152421
4-chloro-N'-[2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 26387767
N'-[2-(4-chlorophenyl)sulfanylacetyl]-5-methoxy-2-methyl-1-benzofuran-3-carbohydrazide
CID 78886337
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92680171
4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 40544516
3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 26616798
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
N-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-methoxybenzamide
CID 27653287
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide (CID 26649394) is 4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide is COc1ccc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide?
The InChIKey is PQPZTKOOSQNCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-22-13-6-8-14(9-7-13)23-10-15(20)18-19-16(21)11-2-4-12(17)5-3-11/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide?
4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide has a molecular weight of 350.83 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 26649394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).