N-cyclohexa-2,5-dien-1-ylsulfamoyl iodide

C6H8INO2S — CID 155205509

IUPACN-cyclohexa-2,5-dien-1-ylsulfamoyl iodide
SMILESO=S(=O)(I)NC1C=CCC=C1
InChIInChI=1S/C6H8INO2S/c7-11(9,10)8-6-4-2-1-3-5-6/h2-6,8H,1H2
InChIKeyCVHJPOZNQBPSJL-UHFFFAOYSA-N
MW285.11 g/mol
LogP1.14
Rot. Bonds2

About N-cyclohexa-2,5-dien-1-ylsulfamoyl iodide

N-cyclohexa-2,5-dien-1-ylsulfamoyl iodide (PubChem CID 155205509) has the molecular formula C6H8INO2S and a molecular weight of 285.11 g/mol. Its IUPAC name is N-cyclohexa-2,5-dien-1-ylsulfamoyl iodide.

Molecular Properties

Compound NameN-cyclohexa-2,5-dien-1-ylsulfamoyl iodide
PubChem CID155205509
Molecular FormulaC6H8INO2S
Molecular Weight285.11 g/mol
Exact Mass284.93
IUPAC NameN-cyclohexa-2,5-dien-1-ylsulfamoyl iodide
SMILESO=S(=O)(I)NC1C=CCC=C1
InChIInChI=1S/C6H8INO2S/c7-11(9,10)8-6-4-2-1-3-5-6/h2-6,8H,1H2
InChIKeyCVHJPOZNQBPSJL-UHFFFAOYSA-N
XLogP1.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,5-dien-1-ylsulfamoyl iodide?
The IUPAC name of N-cyclohexa-2,5-dien-1-ylsulfamoyl iodide (CID 155205509) is N-cyclohexa-2,5-dien-1-ylsulfamoyl iodide.
What is the SMILES notation for N-cyclohexa-2,5-dien-1-ylsulfamoyl iodide?
The canonical SMILES for N-cyclohexa-2,5-dien-1-ylsulfamoyl iodide is O=S(=O)(I)NC1C=CCC=C1.
What is the InChIKey of N-cyclohexa-2,5-dien-1-ylsulfamoyl iodide?
The InChIKey is CVHJPOZNQBPSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8INO2S/c7-11(9,10)8-6-4-2-1-3-5-6/h2-6,8H,1H2.
What are the key properties of N-cyclohexa-2,5-dien-1-ylsulfamoyl iodide?
N-cyclohexa-2,5-dien-1-ylsulfamoyl iodide has a molecular weight of 285.11 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,5-dien-1-ylsulfamoyl iodide is sourced from PubChem (CID 155205509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).