methyl N'-(4-iodophenyl)sulfonylcarbamimidate

C8H9IN2O3S — CID 10593215

IUPACmethyl N'-(4-iodophenyl)sulfonylcarbamimidate
SMILESCO/C(N)=N/S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C8H9IN2O3S/c1-14-8(10)11-15(12,13)7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11)
InChIKeyKXVYABMIQRZTHE-UHFFFAOYSA-N
MW340.14 g/mol
LogP0.94
Rot. Bonds2

About methyl N'-(4-iodophenyl)sulfonylcarbamimidate

methyl N'-(4-iodophenyl)sulfonylcarbamimidate (PubChem CID 10593215) has the molecular formula C8H9IN2O3S and a molecular weight of 340.14 g/mol. Its IUPAC name is methyl N'-(4-iodophenyl)sulfonylcarbamimidate.

Molecular Properties

Compound Namemethyl N'-(4-iodophenyl)sulfonylcarbamimidate
PubChem CID10593215
Molecular FormulaC8H9IN2O3S
Molecular Weight340.14 g/mol
Exact Mass339.94
IUPAC Namemethyl N'-(4-iodophenyl)sulfonylcarbamimidate
SMILESCO/C(N)=N/S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C8H9IN2O3S/c1-14-8(10)11-15(12,13)7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11)
InChIKeyKXVYABMIQRZTHE-UHFFFAOYSA-N
XLogP0.94
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 50.94
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of methyl N'-(4-iodophenyl)sulfonylcarbamimidate?
The IUPAC name of methyl N'-(4-iodophenyl)sulfonylcarbamimidate (CID 10593215) is methyl N'-(4-iodophenyl)sulfonylcarbamimidate.
What is the SMILES notation for methyl N'-(4-iodophenyl)sulfonylcarbamimidate?
The canonical SMILES for methyl N'-(4-iodophenyl)sulfonylcarbamimidate is CO/C(N)=N/S(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of methyl N'-(4-iodophenyl)sulfonylcarbamimidate?
The InChIKey is KXVYABMIQRZTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O3S/c1-14-8(10)11-15(12,13)7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11).
What are the key properties of methyl N'-(4-iodophenyl)sulfonylcarbamimidate?
methyl N'-(4-iodophenyl)sulfonylcarbamimidate has a molecular weight of 340.14 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(4-iodophenyl)sulfonylcarbamimidate is sourced from PubChem (CID 10593215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).