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

C16H21IN4O2S — CID 110914565

IUPAC2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide
SMILESCN(C)S(=O)(=O)c1ccccc1C/N=C(\N)Nc1ccccc1.I
InChIInChI=1S/C16H20N4O2S.HI/c1-20(2)23(21,22)15-11-7-6-8-13(15)12-18-16(17)19-14-9-4-3-5-10-14;/h3-11H,12H2,1-2H3,(H3,17,18,19);1H
InChIKeyWPWGEWMQMDCXKW-UHFFFAOYSA-N
MW460.34 g/mol
LogP2.48
Rot. Bonds5

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

2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide (PubChem CID 110914565) has the molecular formula C16H21IN4O2S and a molecular weight of 460.34 g/mol. Its IUPAC name is 2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide
PubChem CID110914565
Molecular FormulaC16H21IN4O2S
Molecular Weight460.34 g/mol
Exact Mass460.04
IUPAC Name2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide
SMILESCN(C)S(=O)(=O)c1ccccc1C/N=C(\N)Nc1ccccc1.I
InChIInChI=1S/C16H20N4O2S.HI/c1-20(2)23(21,22)15-11-7-6-8-13(15)12-18-16(17)19-14-9-4-3-5-10-14;/h3-11H,12H2,1-2H3,(H3,17,18,19);1H
InChIKeyWPWGEWMQMDCXKW-UHFFFAOYSA-N
XLogP2.48
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-prop-2-enylguanidine
CID 110914558
2-[[2-(tert-butylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111082228
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[2-(dimethylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111598017
2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111039747
2-[[2-(tert-butylsulfamoyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111082238
2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-ethyl-3-(2-methyl-2-phenylpropyl)guanidine
CID 111947985
2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111817684
2-(2-tert-butylsulfonylethyl)-1-phenylguanidine;hydroiodide
CID 111123503
2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine
CID 110918169
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111034472
2-[[4-(methylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110893252
2-benzyl-1-phenylguanidine
CID 12910062

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide (CID 110914565) is 2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide is CN(C)S(=O)(=O)c1ccccc1C/N=C(\N)Nc1ccccc1.I.
What is the InChIKey of 2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide?
The InChIKey is WPWGEWMQMDCXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S.HI/c1-20(2)23(21,22)15-11-7-6-8-13(15)12-18-16(17)19-14-9-4-3-5-10-14;/h3-11H,12H2,1-2H3,(H3,17,18,19);1H.
What are the key properties of 2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide?
2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide has a molecular weight of 460.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110914565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).