4-iodobenzenesulfonohydrazide

C6H7IN2O2S — CID 4247643

IUPAC4-iodobenzenesulfonohydrazide
SMILESNNS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C6H7IN2O2S/c7-5-1-3-6(4-2-5)12(10,11)9-8/h1-4,9H,8H2
InChIKeyIAXWCGDMDZJFHA-UHFFFAOYSA-N
MW298.11 g/mol
LogP0.44
Rot. Bonds2

About 4-iodobenzenesulfonohydrazide

4-iodobenzenesulfonohydrazide (PubChem CID 4247643) has the molecular formula C6H7IN2O2S and a molecular weight of 298.11 g/mol. Its IUPAC name is 4-iodobenzenesulfonohydrazide.

Molecular Properties

Compound Name4-iodobenzenesulfonohydrazide
PubChem CID4247643
Molecular FormulaC6H7IN2O2S
Molecular Weight298.11 g/mol
Exact Mass297.93
IUPAC Name4-iodobenzenesulfonohydrazide
SMILESNNS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C6H7IN2O2S/c7-5-1-3-6(4-2-5)12(10,11)9-8/h1-4,9H,8H2
InChIKeyIAXWCGDMDZJFHA-UHFFFAOYSA-N
XLogP0.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-iodobenzenesulfonohydrazide?
The IUPAC name of 4-iodobenzenesulfonohydrazide (CID 4247643) is 4-iodobenzenesulfonohydrazide.
What is the SMILES notation for 4-iodobenzenesulfonohydrazide?
The canonical SMILES for 4-iodobenzenesulfonohydrazide is NNS(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodobenzenesulfonohydrazide?
The InChIKey is IAXWCGDMDZJFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O2S/c7-5-1-3-6(4-2-5)12(10,11)9-8/h1-4,9H,8H2.
What are the key properties of 4-iodobenzenesulfonohydrazide?
4-iodobenzenesulfonohydrazide has a molecular weight of 298.11 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodobenzenesulfonohydrazide is sourced from PubChem (CID 4247643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).