4-methoxybenzenesulfonyl iodide

C7H7IO3S — CID 23080708

IUPAC4-methoxybenzenesulfonyl iodide
SMILESCOc1ccc(S(=O)(=O)I)cc1
InChIInChI=1S/C7H7IO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3
InChIKeyOXELTWPHRSMSQP-UHFFFAOYSA-N
MW298.10 g/mol
LogP1.82
Rot. Bonds2

About 4-methoxybenzenesulfonyl iodide

4-methoxybenzenesulfonyl iodide (PubChem CID 23080708) has the molecular formula C7H7IO3S and a molecular weight of 298.10 g/mol. Its IUPAC name is 4-methoxybenzenesulfonyl iodide.

Molecular Properties

Compound Name4-methoxybenzenesulfonyl iodide
PubChem CID23080708
Molecular FormulaC7H7IO3S
Molecular Weight298.10 g/mol
Exact Mass297.92
IUPAC Name4-methoxybenzenesulfonyl iodide
SMILESCOc1ccc(S(=O)(=O)I)cc1
InChIInChI=1S/C7H7IO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3
InChIKeyOXELTWPHRSMSQP-UHFFFAOYSA-N
XLogP1.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
[4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite
CID 118689702
hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane
CID 6912594
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
1,2,3-tris[(4-methoxyphenyl)sulfonyl]benzene
CID 91532312
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
(4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane
CID 102121635
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
trihydroxy-(4-methoxyphenyl)-λ4-sulfane
CID 91517982
1-(4-methoxyphenyl)sulfonylethanamine
CID 117036167

Frequently Asked Questions

What is the IUPAC name of 4-methoxybenzenesulfonyl iodide?
The IUPAC name of 4-methoxybenzenesulfonyl iodide (CID 23080708) is 4-methoxybenzenesulfonyl iodide.
What is the SMILES notation for 4-methoxybenzenesulfonyl iodide?
The canonical SMILES for 4-methoxybenzenesulfonyl iodide is COc1ccc(S(=O)(=O)I)cc1.
What is the InChIKey of 4-methoxybenzenesulfonyl iodide?
The InChIKey is OXELTWPHRSMSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3.
What are the key properties of 4-methoxybenzenesulfonyl iodide?
4-methoxybenzenesulfonyl iodide has a molecular weight of 298.10 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybenzenesulfonyl iodide is sourced from PubChem (CID 23080708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).