2-[(4-methylphenyl)sulfonylamino]guanidine

C8H12N4O2S — CID 10656953

IUPAC2-[(4-methylphenyl)sulfonylamino]guanidine
SMILESCc1ccc(S(=O)(=O)NN=C(N)N)cc1
InChIInChI=1S/C8H12N4O2S/c1-6-2-4-7(5-3-6)15(13,14)12-11-8(9)10/h2-5,12H,1H3,(H4,9,10,11)
InChIKeyOAJCLQPYBGDEJD-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.54
Rot. Bonds3

About 2-[(4-methylphenyl)sulfonylamino]guanidine

2-[(4-methylphenyl)sulfonylamino]guanidine (PubChem CID 10656953) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]guanidine.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]guanidine
PubChem CID10656953
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name2-[(4-methylphenyl)sulfonylamino]guanidine
SMILESCc1ccc(S(=O)(=O)NN=C(N)N)cc1
InChIInChI=1S/C8H12N4O2S/c1-6-2-4-7(5-3-6)15(13,14)12-11-8(9)10/h2-5,12H,1H3,(H4,9,10,11)
InChIKeyOAJCLQPYBGDEJD-UHFFFAOYSA-N
XLogP-0.54
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 2-[(4-methylphenyl)sulfonylamino]guanidine?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]guanidine (CID 10656953) is 2-[(4-methylphenyl)sulfonylamino]guanidine.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]guanidine?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]guanidine is Cc1ccc(S(=O)(=O)NN=C(N)N)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]guanidine?
The InChIKey is OAJCLQPYBGDEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-6-2-4-7(5-3-6)15(13,14)12-11-8(9)10/h2-5,12H,1H3,(H4,9,10,11).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]guanidine?
2-[(4-methylphenyl)sulfonylamino]guanidine has a molecular weight of 228.28 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]guanidine is sourced from PubChem (CID 10656953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).