5-chloro-2-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide

C12H13ClN6O3S — CID 2565135

IUPAC5-chloro-2-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnnn1C
InChIInChI=1S/C12H13ClN6O3S/c1-19-12(16-17-18-19)23-6-10(20)14-15-11(21)8-5-7(13)3-4-9(8)22-2/h3-5H,6H2,1-2H3,(H,14,20)(H,15,21)
InChIKeyOYCJULDAZXJJGR-UHFFFAOYSA-N
MW356.80 g/mol
LogP0.43
Rot. Bonds5

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

5-chloro-2-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide (PubChem CID 2565135) has the molecular formula C12H13ClN6O3S and a molecular weight of 356.80 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
PubChem CID2565135
Molecular FormulaC12H13ClN6O3S
Molecular Weight356.80 g/mol
Exact Mass356.05
IUPAC Name5-chloro-2-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnnn1C
InChIInChI=1S/C12H13ClN6O3S/c1-19-12(16-17-18-19)23-6-10(20)14-15-11(21)8-5-7(13)3-4-9(8)22-2/h3-5H,6H2,1-2H3,(H,14,20)(H,15,21)
InChIKeyOYCJULDAZXJJGR-UHFFFAOYSA-N
XLogP0.43
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.80
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 5-chloro-2-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide (CID 2565135) is 5-chloro-2-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 5-chloro-2-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 5-chloro-2-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnnn1C.
What is the InChIKey of 5-chloro-2-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
The InChIKey is OYCJULDAZXJJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN6O3S/c1-19-12(16-17-18-19)23-6-10(20)14-15-11(21)8-5-7(13)3-4-9(8)22-2/h3-5H,6H2,1-2H3,(H,14,20)(H,15,21).
What are the key properties of 5-chloro-2-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
5-chloro-2-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide has a molecular weight of 356.80 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 2565135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).