5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide

C18H17ClN6O4S — CID 16539064

IUPAC5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H17ClN6O4S/c1-28-13-6-4-12(5-7-13)25-18(22-23-24-25)30-10-16(26)20-21-17(27)14-9-11(19)3-8-15(14)29-2/h3-9H,10H2,1-2H3,(H,20,26)(H,21,27)
InChIKeyVZZXIWYXFGAGBJ-UHFFFAOYSA-N
MW448.89 g/mol
LogP1.89
Rot. Bonds7

About 5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide

5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide (PubChem CID 16539064) has the molecular formula C18H17ClN6O4S and a molecular weight of 448.89 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
PubChem CID16539064
Molecular FormulaC18H17ClN6O4S
Molecular Weight448.89 g/mol
Exact Mass448.07
IUPAC Name5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H17ClN6O4S/c1-28-13-6-4-12(5-7-13)25-18(22-23-24-25)30-10-16(26)20-21-17(27)14-9-11(19)3-8-15(14)29-2/h3-9H,10H2,1-2H3,(H,20,26)(H,21,27)
InChIKeyVZZXIWYXFGAGBJ-UHFFFAOYSA-N
XLogP1.89
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.89
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2596083
2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1175593
5-chloro-2-methoxy-N'-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 16538800
N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
CID 18874171
5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 146087102
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 4814756
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(3,4-dimethoxyphenyl)ethanone
CID 2610082
N-(3,4-dibromophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3938077
2-[1-(4-acetylphenyl)tetrazol-5-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone
CID 43811910
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1455233
1-(2-chlorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 7863721
N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616969

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide?
The IUPAC name of 5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide (CID 16539064) is 5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide?
The canonical SMILES for 5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide is COc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide?
The InChIKey is VZZXIWYXFGAGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O4S/c1-28-13-6-4-12(5-7-13)25-18(22-23-24-25)30-10-16(26)20-21-17(27)14-9-11(19)3-8-15(14)29-2/h3-9H,10H2,1-2H3,(H,20,26)(H,21,27).
What are the key properties of 5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide?
5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide has a molecular weight of 448.89 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 16539064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).