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

C16H15ClN2O2S — CID 7780155

IUPAC4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide
SMILESCc1ccccc1SCC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O2S/c1-11-4-2-3-5-14(11)22-10-15(20)18-19-16(21)12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyBHACBOXIOLXROT-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.20
Rot. Bonds4

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

4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide (PubChem CID 7780155) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide
PubChem CID7780155
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide
SMILESCc1ccccc1SCC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O2S/c1-11-4-2-3-5-14(11)22-10-15(20)18-19-16(21)12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyBHACBOXIOLXROT-UHFFFAOYSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.20
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

4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide
CID 31964988
1-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889916
4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 40544516
4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 2591603
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide
CID 6877546
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide
CID 9091295
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
4-chloro-N'-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 864298
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)sulfanylacetamide
CID 34135048
4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 17496466
4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 35040935

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide (CID 7780155) is 4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide is Cc1ccccc1SCC(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide?
The InChIKey is BHACBOXIOLXROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-11-4-2-3-5-14(11)22-10-15(20)18-19-16(21)12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide?
4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide has a molecular weight of 334.83 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 7780155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).