4-methoxy-N'-(4-methoxyphenyl)sulfonylbenzohydrazide

C15H16N2O5S — CID 789969

IUPAC4-methoxy-N'-(4-methoxyphenyl)sulfonylbenzohydrazide
SMILESCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C15H16N2O5S/c1-21-12-5-3-11(4-6-12)15(18)16-17-23(19,20)14-9-7-13(22-2)8-10-14/h3-10,17H,1-2H3,(H,16,18)
InChIKeyJKLUZSZFOWYPQW-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.33
Rot. Bonds6

About 4-methoxy-N'-(4-methoxyphenyl)sulfonylbenzohydrazide

4-methoxy-N'-(4-methoxyphenyl)sulfonylbenzohydrazide (PubChem CID 789969) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is 4-methoxy-N'-(4-methoxyphenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-(4-methoxyphenyl)sulfonylbenzohydrazide
PubChem CID789969
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name4-methoxy-N'-(4-methoxyphenyl)sulfonylbenzohydrazide
SMILESCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C15H16N2O5S/c1-21-12-5-3-11(4-6-12)15(18)16-17-23(19,20)14-9-7-13(22-2)8-10-14/h3-10,17H,1-2H3,(H,16,18)
InChIKeyJKLUZSZFOWYPQW-UHFFFAOYSA-N
XLogP1.33
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 76792
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CID 3115394
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CID 124132130
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide
CID 124132195
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide
CID 135298625
4-methoxy-N'-(phenylacetyl)benzohydrazide
CID 695069
N'-(4-Fluorobenzenesulfonyl)-2-methoxybenzohydrazide
CID 809441
N-(4-ethoxybenzenesulfonyl)benzamide
CID 972596
4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2528547
N'-phenylsulfonyl-4-methoxybenzohydrazide
CID 795528
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CID 124132112
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-(4-methoxyphenyl)sulfonylbenzohydrazide?
The IUPAC name of 4-methoxy-N'-(4-methoxyphenyl)sulfonylbenzohydrazide (CID 789969) is 4-methoxy-N'-(4-methoxyphenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 4-methoxy-N'-(4-methoxyphenyl)sulfonylbenzohydrazide?
The canonical SMILES for 4-methoxy-N'-(4-methoxyphenyl)sulfonylbenzohydrazide is COc1ccc(C(=O)NNS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N'-(4-methoxyphenyl)sulfonylbenzohydrazide?
The InChIKey is JKLUZSZFOWYPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-21-12-5-3-11(4-6-12)15(18)16-17-23(19,20)14-9-7-13(22-2)8-10-14/h3-10,17H,1-2H3,(H,16,18).
What are the key properties of 4-methoxy-N'-(4-methoxyphenyl)sulfonylbenzohydrazide?
4-methoxy-N'-(4-methoxyphenyl)sulfonylbenzohydrazide has a molecular weight of 336.37 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-(4-methoxyphenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 789969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).