2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide

C15H19IN4O2S — CID 110893252

IUPAC2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide
SMILESCNS(=O)(=O)c1ccc(C/N=C(\N)Nc2ccccc2)cc1.I
InChIInChI=1S/C15H18N4O2S.HI/c1-17-22(20,21)14-9-7-12(8-10-14)11-18-15(16)19-13-5-3-2-4-6-13;/h2-10,17H,11H2,1H3,(H3,16,18,19);1H
InChIKeyYJFCEPRNZBIJQO-UHFFFAOYSA-N
MW446.31 g/mol
LogP2.14
Rot. Bonds5

About 2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide

2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide (PubChem CID 110893252) has the molecular formula C15H19IN4O2S and a molecular weight of 446.31 g/mol. Its IUPAC name is 2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide
PubChem CID110893252
Molecular FormulaC15H19IN4O2S
Molecular Weight446.31 g/mol
Exact Mass446.03
IUPAC Name2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide
SMILESCNS(=O)(=O)c1ccc(C/N=C(\N)Nc2ccccc2)cc1.I
InChIInChI=1S/C15H18N4O2S.HI/c1-17-22(20,21)14-9-7-12(8-10-14)11-18-15(16)19-13-5-3-2-4-6-13;/h2-10,17H,11H2,1H3,(H3,16,18,19);1H
InChIKeyYJFCEPRNZBIJQO-UHFFFAOYSA-N
XLogP2.14
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.31
LogP ≤ 52.14
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': 'iodine', 'substructure': 'N/A'}

Analyze 2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide 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

2-benzyl-1-(4-methylsulfonylphenyl)guanidine
CID 130567654
1-tert-butyl-2-[[4-(methylsulfamoyl)phenyl]methyl]guanidine
CID 111046400
1-(3,4-dimethoxyphenyl)-2-[[4-(methylsulfamoyl)phenyl]methyl]guanidine
CID 111046426
2-benzyl-1-phenylguanidine
CID 12910062
N'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide
CID 111046434
1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide
CID 110912451
1-(3-ethylphenyl)-2-[[4-(methylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111037889
1-phenyl-2-(pyridin-4-ylmethyl)guanidine
CID 62364718
1-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea
CID 110915490
1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110893205
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 111117542
2-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110924612

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide (CID 110893252) is 2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide is CNS(=O)(=O)c1ccc(C/N=C(\N)Nc2ccccc2)cc1.I.
What is the InChIKey of 2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide?
The InChIKey is YJFCEPRNZBIJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S.HI/c1-17-22(20,21)14-9-7-12(8-10-14)11-18-15(16)19-13-5-3-2-4-6-13;/h2-10,17H,11H2,1H3,(H3,16,18,19);1H.
What are the key properties of 2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide?
2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide has a molecular weight of 446.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110893252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).