3-methoxy-N'-(4-methylphenyl)sulfonylbenzohydrazide

C15H16N2O4S — CID 813097

IUPAC3-methoxy-N'-(4-methylphenyl)sulfonylbenzohydrazide
SMILESCOc1cccc(C(=O)NNS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C15H16N2O4S/c1-11-6-8-14(9-7-11)22(19,20)17-16-15(18)12-4-3-5-13(10-12)21-2/h3-10,17H,1-2H3,(H,16,18)
InChIKeyCAEXBMMLMUKZAS-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.63
Rot. Bonds5

About 3-methoxy-N'-(4-methylphenyl)sulfonylbenzohydrazide

3-methoxy-N'-(4-methylphenyl)sulfonylbenzohydrazide (PubChem CID 813097) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-methoxy-N'-(4-methylphenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-(4-methylphenyl)sulfonylbenzohydrazide
PubChem CID813097
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name3-methoxy-N'-(4-methylphenyl)sulfonylbenzohydrazide
SMILESCOc1cccc(C(=O)NNS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C15H16N2O4S/c1-11-6-8-14(9-7-11)22(19,20)17-16-15(18)12-4-3-5-13(10-12)21-2/h3-10,17H,1-2H3,(H,16,18)
InChIKeyCAEXBMMLMUKZAS-UHFFFAOYSA-N
XLogP1.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-methoxy-N'-(4-methylphenyl)sulfonylbenzohydrazide?
The IUPAC name of 3-methoxy-N'-(4-methylphenyl)sulfonylbenzohydrazide (CID 813097) is 3-methoxy-N'-(4-methylphenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 3-methoxy-N'-(4-methylphenyl)sulfonylbenzohydrazide?
The canonical SMILES for 3-methoxy-N'-(4-methylphenyl)sulfonylbenzohydrazide is COc1cccc(C(=O)NNS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 3-methoxy-N'-(4-methylphenyl)sulfonylbenzohydrazide?
The InChIKey is CAEXBMMLMUKZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-11-6-8-14(9-7-11)22(19,20)17-16-15(18)12-4-3-5-13(10-12)21-2/h3-10,17H,1-2H3,(H,16,18).
What are the key properties of 3-methoxy-N'-(4-methylphenyl)sulfonylbenzohydrazide?
3-methoxy-N'-(4-methylphenyl)sulfonylbenzohydrazide has a molecular weight of 320.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-(4-methylphenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 813097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).