1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide

C15H19IN4O3S — CID 111598315

IUPAC1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCS(N)(=O)=O)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H18N4O3S.HI/c16-15(18-9-10-23(17,20)21)19-12-5-4-8-14(11-12)22-13-6-2-1-3-7-13;/h1-8,11H,9-10H2,(H3,16,18,19)(H2,17,20,21);1H
InChIKeyLFQOBOJIPJMREC-UHFFFAOYSA-N
MW462.31 g/mol
LogP2.11
Rot. Bonds6

About 1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide

1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide (PubChem CID 111598315) has the molecular formula C15H19IN4O3S and a molecular weight of 462.31 g/mol. Its IUPAC name is 1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
PubChem CID111598315
Molecular FormulaC15H19IN4O3S
Molecular Weight462.31 g/mol
Exact Mass462.02
IUPAC Name1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCS(N)(=O)=O)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H18N4O3S.HI/c16-15(18-9-10-23(17,20)21)19-12-5-4-8-14(11-12)22-13-6-2-1-3-7-13;/h1-8,11H,9-10H2,(H3,16,18,19)(H2,17,20,21);1H
InChIKeyLFQOBOJIPJMREC-UHFFFAOYSA-N
XLogP2.11
TPSA119.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.31
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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;hydroiodide
CID 110912467
1-phenyl-2-(2-sulfamoylethyl)guanidine
CID 62364508
2-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
CID 111599308
2-(cyclopropylmethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598069
2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 110912668
2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111800507
2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598697
4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111599045
2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597433
3-[[amino-(3-phenoxyanilino)methylidene]amino]-2,2-dimethylpropanamide
CID 111599274
1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine
CID 111802898

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide?
The IUPAC name of 1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide (CID 111598315) is 1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide is I.N/C(=N\CCS(N)(=O)=O)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide?
The InChIKey is LFQOBOJIPJMREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S.HI/c16-15(18-9-10-23(17,20)21)19-12-5-4-8-14(11-12)22-13-6-2-1-3-7-13;/h1-8,11H,9-10H2,(H3,16,18,19)(H2,17,20,21);1H.
What are the key properties of 1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide?
1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide has a molecular weight of 462.31 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111598315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).