2-(4-iodophenyl)sulfonylguanidine

C7H8IN3O2S — CID 10544014

IUPAC2-(4-iodophenyl)sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C7H8IN3O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,(H4,9,10,11)
InChIKeyPUTBGCDSGLEGBZ-UHFFFAOYSA-N
MW325.13 g/mol
LogP0.25
Rot. Bonds2

About 2-(4-iodophenyl)sulfonylguanidine

2-(4-iodophenyl)sulfonylguanidine (PubChem CID 10544014) has the molecular formula C7H8IN3O2S and a molecular weight of 325.13 g/mol. Its IUPAC name is 2-(4-iodophenyl)sulfonylguanidine.

Molecular Properties

Compound Name2-(4-iodophenyl)sulfonylguanidine
PubChem CID10544014
Molecular FormulaC7H8IN3O2S
Molecular Weight325.13 g/mol
Exact Mass324.94
IUPAC Name2-(4-iodophenyl)sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C7H8IN3O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,(H4,9,10,11)
InChIKeyPUTBGCDSGLEGBZ-UHFFFAOYSA-N
XLogP0.25
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)sulfonylguanidine?
The IUPAC name of 2-(4-iodophenyl)sulfonylguanidine (CID 10544014) is 2-(4-iodophenyl)sulfonylguanidine.
What is the SMILES notation for 2-(4-iodophenyl)sulfonylguanidine?
The canonical SMILES for 2-(4-iodophenyl)sulfonylguanidine is NC(N)=NS(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenyl)sulfonylguanidine?
The InChIKey is PUTBGCDSGLEGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN3O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,(H4,9,10,11).
What are the key properties of 2-(4-iodophenyl)sulfonylguanidine?
2-(4-iodophenyl)sulfonylguanidine has a molecular weight of 325.13 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)sulfonylguanidine is sourced from PubChem (CID 10544014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).