5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide

C16H14ClN3O5S — CID 2125835

IUPAC5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CSc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14ClN3O5S/c1-25-14-7-2-10(17)8-13(14)16(22)19-18-15(21)9-26-12-5-3-11(4-6-12)20(23)24/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyMZKMZSOZIGVFLT-UHFFFAOYSA-N
MW395.82 g/mol
LogP2.81
Rot. Bonds6

About 5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide

5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide (PubChem CID 2125835) has the molecular formula C16H14ClN3O5S and a molecular weight of 395.82 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
PubChem CID2125835
Molecular FormulaC16H14ClN3O5S
Molecular Weight395.82 g/mol
Exact Mass395.03
IUPAC Name5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CSc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14ClN3O5S/c1-25-14-7-2-10(17)8-13(14)16(22)19-18-15(21)9-26-12-5-3-11(4-6-12)20(23)24/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyMZKMZSOZIGVFLT-UHFFFAOYSA-N
XLogP2.81
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.82
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide
CID 5154255
4-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 4832063
2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 35929032
N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide
CID 18159278
5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide
CID 9472212
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 46809343
5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide
CID 7754724
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate
CID 7864396
N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide
CID 24636081
N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide
CID 7784836
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8680444

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide (CID 2125835) is 5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide?
The InChIKey is MZKMZSOZIGVFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O5S/c1-25-14-7-2-10(17)8-13(14)16(22)19-18-15(21)9-26-12-5-3-11(4-6-12)20(23)24/h2-8H,9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide?
5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide has a molecular weight of 395.82 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 2125835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).