N-hydrazinylidene-4-iodobenzenesulfinamide

C6H6IN3OS — CID 129060136

IUPACN-hydrazinylidene-4-iodobenzenesulfinamide
SMILESNN=NS(=O)c1ccc(I)cc1
InChIInChI=1S/C6H6IN3OS/c7-5-1-3-6(4-2-5)12(11)10-9-8/h1-4H,(H2,8,10)
InChIKeyOZWBHNHUDWCXQQ-UHFFFAOYSA-N
MW295.11 g/mol
LogP1.64
Rot. Bonds2

About N-hydrazinylidene-4-iodobenzenesulfinamide

N-hydrazinylidene-4-iodobenzenesulfinamide (PubChem CID 129060136) has the molecular formula C6H6IN3OS and a molecular weight of 295.11 g/mol. Its IUPAC name is N-hydrazinylidene-4-iodobenzenesulfinamide.

Molecular Properties

Compound NameN-hydrazinylidene-4-iodobenzenesulfinamide
PubChem CID129060136
Molecular FormulaC6H6IN3OS
Molecular Weight295.11 g/mol
Exact Mass294.93
IUPAC NameN-hydrazinylidene-4-iodobenzenesulfinamide
SMILESNN=NS(=O)c1ccc(I)cc1
InChIInChI=1S/C6H6IN3OS/c7-5-1-3-6(4-2-5)12(11)10-9-8/h1-4H,(H2,8,10)
InChIKeyOZWBHNHUDWCXQQ-UHFFFAOYSA-N
XLogP1.64
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.11
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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 N-hydrazinylidene-4-iodobenzenesulfinamide?
The IUPAC name of N-hydrazinylidene-4-iodobenzenesulfinamide (CID 129060136) is N-hydrazinylidene-4-iodobenzenesulfinamide.
What is the SMILES notation for N-hydrazinylidene-4-iodobenzenesulfinamide?
The canonical SMILES for N-hydrazinylidene-4-iodobenzenesulfinamide is NN=NS(=O)c1ccc(I)cc1.
What is the InChIKey of N-hydrazinylidene-4-iodobenzenesulfinamide?
The InChIKey is OZWBHNHUDWCXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6IN3OS/c7-5-1-3-6(4-2-5)12(11)10-9-8/h1-4H,(H2,8,10).
What are the key properties of N-hydrazinylidene-4-iodobenzenesulfinamide?
N-hydrazinylidene-4-iodobenzenesulfinamide has a molecular weight of 295.11 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydrazinylidene-4-iodobenzenesulfinamide is sourced from PubChem (CID 129060136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).