benzenesulfonic acid;1,1-diphenylhydrazine

C18H18N2O3S — CID 88730988

IUPACbenzenesulfonic acid;1,1-diphenylhydrazine
SMILESNN(c1ccccc1)c1ccccc1.O=S(=O)(O)c1ccccc1
InChIInChI=1S/C12H12N2.C6H6O3S/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-10(8,9)6-4-2-1-3-5-6/h1-10H,13H2;1-5H,(H,7,8,9)
InChIKeyYJRBEFFFQRGEMV-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.63
Rot. Bonds3

About benzenesulfonic acid;1,1-diphenylhydrazine

benzenesulfonic acid;1,1-diphenylhydrazine (PubChem CID 88730988) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is benzenesulfonic acid;1,1-diphenylhydrazine.

Molecular Properties

Compound Namebenzenesulfonic acid;1,1-diphenylhydrazine
PubChem CID88730988
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Namebenzenesulfonic acid;1,1-diphenylhydrazine
SMILESNN(c1ccccc1)c1ccccc1.O=S(=O)(O)c1ccccc1
InChIInChI=1S/C12H12N2.C6H6O3S/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-10(8,9)6-4-2-1-3-5-6/h1-10H,13H2;1-5H,(H,7,8,9)
InChIKeyYJRBEFFFQRGEMV-UHFFFAOYSA-N
XLogP3.63
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 benzenesulfonic acid;1,1-diphenylhydrazine?
The IUPAC name of benzenesulfonic acid;1,1-diphenylhydrazine (CID 88730988) is benzenesulfonic acid;1,1-diphenylhydrazine.
What is the SMILES notation for benzenesulfonic acid;1,1-diphenylhydrazine?
The canonical SMILES for benzenesulfonic acid;1,1-diphenylhydrazine is NN(c1ccccc1)c1ccccc1.O=S(=O)(O)c1ccccc1.
What is the InChIKey of benzenesulfonic acid;1,1-diphenylhydrazine?
The InChIKey is YJRBEFFFQRGEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C6H6O3S/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-10(8,9)6-4-2-1-3-5-6/h1-10H,13H2;1-5H,(H,7,8,9).
What are the key properties of benzenesulfonic acid;1,1-diphenylhydrazine?
benzenesulfonic acid;1,1-diphenylhydrazine has a molecular weight of 342.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonic acid;1,1-diphenylhydrazine is sourced from PubChem (CID 88730988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).