1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide

C9H15IN4O2S — CID 110912467

IUPAC1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCS(N)(=O)=O)Nc1ccccc1
InChIInChI=1S/C9H14N4O2S.HI/c10-9(12-6-7-16(11,14)15)13-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H3,10,12,13)(H2,11,14,15);1H
InChIKeyQVIQLKRCOUXMSZ-UHFFFAOYSA-N
MW370.22 g/mol
LogP0.32
Rot. Bonds4

About 1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide

1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide (PubChem CID 110912467) has the molecular formula C9H15IN4O2S and a molecular weight of 370.22 g/mol. Its IUPAC name is 1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide
PubChem CID110912467
Molecular FormulaC9H15IN4O2S
Molecular Weight370.22 g/mol
Exact Mass370.00
IUPAC Name1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCS(N)(=O)=O)Nc1ccccc1
InChIInChI=1S/C9H14N4O2S.HI/c10-9(12-6-7-16(11,14)15)13-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H3,10,12,13)(H2,11,14,15);1H
InChIKeyQVIQLKRCOUXMSZ-UHFFFAOYSA-N
XLogP0.32
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 50.32
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'}

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Related Compounds

1-phenyl-2-(2-sulfamoylethyl)guanidine
CID 62364508
1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111598315
1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine
CID 111046601
2-(2-tert-butylsulfonylethyl)-1-phenylguanidine;hydroiodide
CID 111123503
2-(3-methylsulfonylpropyl)-1-phenylguanidine;hydroiodide
CID 110912521
1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111046592
1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine
CID 111046599
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728
1-phenyl-2-(2-sulfanylethyl)guanidine
CID 27742
1-phenyl-2-(2-sulfanylethyl)guanidine;hydrochloride
CID 138398183
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
2-dodecyl-1-phenylguanidine
CID 101076594

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide?
The IUPAC name of 1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide (CID 110912467) is 1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide is I.N/C(=N\CCS(N)(=O)=O)Nc1ccccc1.
What is the InChIKey of 1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide?
The InChIKey is QVIQLKRCOUXMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S.HI/c10-9(12-6-7-16(11,14)15)13-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H3,10,12,13)(H2,11,14,15);1H.
What are the key properties of 1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide?
1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide has a molecular weight of 370.22 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110912467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).