4-methylsulfonylbenzohydrazide

C8H10N2O3S — CID 11042107

IUPAC4-methylsulfonylbenzohydrazide
SMILESCS(=O)(=O)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C8H10N2O3S/c1-14(12,13)7-4-2-6(3-5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
InChIKeyQAKUWIZIFUAMIV-UHFFFAOYSA-N
MW214.25 g/mol
LogP-0.31
Rot. Bonds2

About 4-methylsulfonylbenzohydrazide

4-methylsulfonylbenzohydrazide (PubChem CID 11042107) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 4-methylsulfonylbenzohydrazide.

Molecular Properties

Compound Name4-methylsulfonylbenzohydrazide
PubChem CID11042107
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name4-methylsulfonylbenzohydrazide
SMILESCS(=O)(=O)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C8H10N2O3S/c1-14(12,13)7-4-2-6(3-5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
InChIKeyQAKUWIZIFUAMIV-UHFFFAOYSA-N
XLogP-0.31
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylbenzohydrazide?
The IUPAC name of 4-methylsulfonylbenzohydrazide (CID 11042107) is 4-methylsulfonylbenzohydrazide.
What is the SMILES notation for 4-methylsulfonylbenzohydrazide?
The canonical SMILES for 4-methylsulfonylbenzohydrazide is CS(=O)(=O)c1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-methylsulfonylbenzohydrazide?
The InChIKey is QAKUWIZIFUAMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-14(12,13)7-4-2-6(3-5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11).
What are the key properties of 4-methylsulfonylbenzohydrazide?
4-methylsulfonylbenzohydrazide has a molecular weight of 214.25 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylbenzohydrazide is sourced from PubChem (CID 11042107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).