2-(4-methylphenyl)sulfonylguanidine

C8H11N3O2S — CID 2392241

IUPAC2-(4-methylphenyl)sulfonylguanidine
SMILESCc1ccc(S(=O)(=O)N=C(N)N)cc1
InChIInChI=1S/C8H11N3O2S/c1-6-2-4-7(5-3-6)14(12,13)11-8(9)10/h2-5H,1H3,(H4,9,10,11)
InChIKeyYMXFYAAVYBVOKE-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.04
Rot. Bonds2

About 2-(4-methylphenyl)sulfonylguanidine

2-(4-methylphenyl)sulfonylguanidine (PubChem CID 2392241) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonylguanidine.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonylguanidine
PubChem CID2392241
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-(4-methylphenyl)sulfonylguanidine
SMILESCc1ccc(S(=O)(=O)N=C(N)N)cc1
InChIInChI=1S/C8H11N3O2S/c1-6-2-4-7(5-3-6)14(12,13)11-8(9)10/h2-5H,1H3,(H4,9,10,11)
InChIKeyYMXFYAAVYBVOKE-UHFFFAOYSA-N
XLogP-0.04
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.04
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonylguanidine?
The IUPAC name of 2-(4-methylphenyl)sulfonylguanidine (CID 2392241) is 2-(4-methylphenyl)sulfonylguanidine.
What is the SMILES notation for 2-(4-methylphenyl)sulfonylguanidine?
The canonical SMILES for 2-(4-methylphenyl)sulfonylguanidine is Cc1ccc(S(=O)(=O)N=C(N)N)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonylguanidine?
The InChIKey is YMXFYAAVYBVOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-6-2-4-7(5-3-6)14(12,13)11-8(9)10/h2-5H,1H3,(H4,9,10,11).
What are the key properties of 2-(4-methylphenyl)sulfonylguanidine?
2-(4-methylphenyl)sulfonylguanidine has a molecular weight of 213.26 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonylguanidine is sourced from PubChem (CID 2392241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).