4-methanehydrazonoylbenzenesulfonic acid

C7H8N2O3S — CID 168530932

IUPAC4-methanehydrazonoylbenzenesulfonic acid
SMILESNN=Cc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C7H8N2O3S/c8-9-5-6-1-3-7(4-2-6)13(10,11)12/h1-5H,8H2,(H,10,11,12)
InChIKeyIVQYTNWZSUNNGE-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.23
Rot. Bonds2

About 4-methanehydrazonoylbenzenesulfonic acid

4-methanehydrazonoylbenzenesulfonic acid (PubChem CID 168530932) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 4-methanehydrazonoylbenzenesulfonic acid.

Molecular Properties

Compound Name4-methanehydrazonoylbenzenesulfonic acid
PubChem CID168530932
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name4-methanehydrazonoylbenzenesulfonic acid
SMILESNN=Cc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C7H8N2O3S/c8-9-5-6-1-3-7(4-2-6)13(10,11)12/h1-5H,8H2,(H,10,11,12)
InChIKeyIVQYTNWZSUNNGE-UHFFFAOYSA-N
XLogP0.23
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methanehydrazonoylbenzenesulfonic acid?
The IUPAC name of 4-methanehydrazonoylbenzenesulfonic acid (CID 168530932) is 4-methanehydrazonoylbenzenesulfonic acid.
What is the SMILES notation for 4-methanehydrazonoylbenzenesulfonic acid?
The canonical SMILES for 4-methanehydrazonoylbenzenesulfonic acid is NN=Cc1ccc(S(=O)(=O)O)cc1.
What is the InChIKey of 4-methanehydrazonoylbenzenesulfonic acid?
The InChIKey is IVQYTNWZSUNNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c8-9-5-6-1-3-7(4-2-6)13(10,11)12/h1-5H,8H2,(H,10,11,12).
What are the key properties of 4-methanehydrazonoylbenzenesulfonic acid?
4-methanehydrazonoylbenzenesulfonic acid has a molecular weight of 200.22 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanehydrazonoylbenzenesulfonic acid is sourced from PubChem (CID 168530932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).