2-[(3-aminophenyl)sulfonylamino]guanidine

C7H11N5O2S — CID 10609450

IUPAC2-[(3-aminophenyl)sulfonylamino]guanidine
SMILESNC(N)=NNS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C7H11N5O2S/c8-5-2-1-3-6(4-5)15(13,14)12-11-7(9)10/h1-4,12H,8H2,(H4,9,10,11)
InChIKeyQJGBHMYQADZRLV-UHFFFAOYSA-N
MW229.27 g/mol
LogP-1.26
Rot. Bonds3

About 2-[(3-aminophenyl)sulfonylamino]guanidine

2-[(3-aminophenyl)sulfonylamino]guanidine (PubChem CID 10609450) has the molecular formula C7H11N5O2S and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-[(3-aminophenyl)sulfonylamino]guanidine.

Molecular Properties

Compound Name2-[(3-aminophenyl)sulfonylamino]guanidine
PubChem CID10609450
Molecular FormulaC7H11N5O2S
Molecular Weight229.27 g/mol
Exact Mass229.06
IUPAC Name2-[(3-aminophenyl)sulfonylamino]guanidine
SMILESNC(N)=NNS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C7H11N5O2S/c8-5-2-1-3-6(4-5)15(13,14)12-11-7(9)10/h1-4,12H,8H2,(H4,9,10,11)
InChIKeyQJGBHMYQADZRLV-UHFFFAOYSA-N
XLogP-1.26
TPSA136.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(3-aminophenyl)sulfonylamino]guanidine with MolForge

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

Launch Full Analysis

Related Compounds

Sulfanilamide
CID 5333
Sulfacarbamide
CID 11033
Sulfaguanidine
CID 5324
Sulfathiourea
CID 3000579
2-Aminobenzenesulfonamide
CID 72894
Benzenesulfonamide, 3-amino-
CID 7377
3-Aminobenzenesulfonic acid
CID 8474
Benzenesulfonamide, 3-amino-N-phenyl-
CID 66454
p-Hydrazinobenzenesulphonamide
CID 78105
4-Azidobenzenesulfonamide
CID 3558590
4-amino-N-methylbenzene-1-sulfonamide
CID 74368
Benzenesulfonanilide
CID 74296

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)sulfonylamino]guanidine?
The IUPAC name of 2-[(3-aminophenyl)sulfonylamino]guanidine (CID 10609450) is 2-[(3-aminophenyl)sulfonylamino]guanidine.
What is the SMILES notation for 2-[(3-aminophenyl)sulfonylamino]guanidine?
The canonical SMILES for 2-[(3-aminophenyl)sulfonylamino]guanidine is NC(N)=NNS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)sulfonylamino]guanidine?
The InChIKey is QJGBHMYQADZRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2S/c8-5-2-1-3-6(4-5)15(13,14)12-11-7(9)10/h1-4,12H,8H2,(H4,9,10,11).
What are the key properties of 2-[(3-aminophenyl)sulfonylamino]guanidine?
2-[(3-aminophenyl)sulfonylamino]guanidine has a molecular weight of 229.27 g/mol, XLogP of -1.26, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)sulfonylamino]guanidine is sourced from PubChem (CID 10609450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).