2-[(2,6-dichloro-3-pyridinyl)sulfonyl]guanidine

C6H6Cl2N4O2S — CID 22074539

IUPAC2-[(2,6-dichloro-3-pyridinyl)sulfonyl]guanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C6H6Cl2N4O2S/c7-4-2-1-3(5(8)11-4)15(13,14)12-6(9)10/h1-2H,(H4,9,10,12)
InChIKeyNMGREEKAJXYHSG-UHFFFAOYSA-N
MW269.11 g/mol
LogP0.35
Rot. Bonds2

About 2-[(2,6-dichloro-3-pyridinyl)sulfonyl]guanidine

2-[(2,6-dichloro-3-pyridinyl)sulfonyl]guanidine (PubChem CID 22074539) has the molecular formula C6H6Cl2N4O2S and a molecular weight of 269.11 g/mol. Its IUPAC name is 2-[(2,6-dichloro-3-pyridinyl)sulfonyl]guanidine.

Molecular Properties

Compound Name2-[(2,6-dichloro-3-pyridinyl)sulfonyl]guanidine
PubChem CID22074539
Molecular FormulaC6H6Cl2N4O2S
Molecular Weight269.11 g/mol
Exact Mass267.96
IUPAC Name2-[(2,6-dichloro-3-pyridinyl)sulfonyl]guanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C6H6Cl2N4O2S/c7-4-2-1-3(5(8)11-4)15(13,14)12-6(9)10/h1-2H,(H4,9,10,12)
InChIKeyNMGREEKAJXYHSG-UHFFFAOYSA-N
XLogP0.35
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.11
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(2,6-dichloro-3-pyridinyl)sulfonyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichloro-3-pyridinyl)sulfonyl]guanidine?
The IUPAC name of 2-[(2,6-dichloro-3-pyridinyl)sulfonyl]guanidine (CID 22074539) is 2-[(2,6-dichloro-3-pyridinyl)sulfonyl]guanidine.
What is the SMILES notation for 2-[(2,6-dichloro-3-pyridinyl)sulfonyl]guanidine?
The canonical SMILES for 2-[(2,6-dichloro-3-pyridinyl)sulfonyl]guanidine is NC(N)=NS(=O)(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2-[(2,6-dichloro-3-pyridinyl)sulfonyl]guanidine?
The InChIKey is NMGREEKAJXYHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N4O2S/c7-4-2-1-3(5(8)11-4)15(13,14)12-6(9)10/h1-2H,(H4,9,10,12).
What are the key properties of 2-[(2,6-dichloro-3-pyridinyl)sulfonyl]guanidine?
2-[(2,6-dichloro-3-pyridinyl)sulfonyl]guanidine has a molecular weight of 269.11 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichloro-3-pyridinyl)sulfonyl]guanidine is sourced from PubChem (CID 22074539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).