4-chlorobenzenesulfonic acid;hydrazine

C6H9ClN2O3S — CID 157127100

IUPAC4-chlorobenzenesulfonic acid;hydrazine
SMILESNN.O=S(=O)(O)c1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO3S.H4N2/c7-5-1-3-6(4-2-5)11(8,9)10;1-2/h1-4H,(H,8,9,10);1-2H2
InChIKeyAIQAIBWYLMGCGB-UHFFFAOYSA-N
MW224.67 g/mol
LogP0.41
Rot. Bonds1

About 4-chlorobenzenesulfonic acid;hydrazine

4-chlorobenzenesulfonic acid;hydrazine (PubChem CID 157127100) has the molecular formula C6H9ClN2O3S and a molecular weight of 224.67 g/mol. Its IUPAC name is 4-chlorobenzenesulfonic acid;hydrazine.

Molecular Properties

Compound Name4-chlorobenzenesulfonic acid;hydrazine
PubChem CID157127100
Molecular FormulaC6H9ClN2O3S
Molecular Weight224.67 g/mol
Exact Mass224.00
IUPAC Name4-chlorobenzenesulfonic acid;hydrazine
SMILESNN.O=S(=O)(O)c1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO3S.H4N2/c7-5-1-3-6(4-2-5)11(8,9)10;1-2/h1-4H,(H,8,9,10);1-2H2
InChIKeyAIQAIBWYLMGCGB-UHFFFAOYSA-N
XLogP0.41
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 50.41
H-Bond Donors ≤ 53
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chlorobenzenesulfonic acid;hydrazine?
The IUPAC name of 4-chlorobenzenesulfonic acid;hydrazine (CID 157127100) is 4-chlorobenzenesulfonic acid;hydrazine.
What is the SMILES notation for 4-chlorobenzenesulfonic acid;hydrazine?
The canonical SMILES for 4-chlorobenzenesulfonic acid;hydrazine is NN.O=S(=O)(O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chlorobenzenesulfonic acid;hydrazine?
The InChIKey is AIQAIBWYLMGCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO3S.H4N2/c7-5-1-3-6(4-2-5)11(8,9)10;1-2/h1-4H,(H,8,9,10);1-2H2.
What are the key properties of 4-chlorobenzenesulfonic acid;hydrazine?
4-chlorobenzenesulfonic acid;hydrazine has a molecular weight of 224.67 g/mol, XLogP of 0.41, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobenzenesulfonic acid;hydrazine is sourced from PubChem (CID 157127100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).