2-iodosyl-5-[2-(2-methoxyethoxy)ethoxy]benzenesulfonic acid

C11H15IO7S — CID 23357108

IUPAC2-iodosyl-5-[2-(2-methoxyethoxy)ethoxy]benzenesulfonic acid
SMILESCOCCOCCOc1ccc(I=O)c(S(=O)(=O)O)c1
InChIInChI=1S/C11H15IO7S/c1-17-4-5-18-6-7-19-9-2-3-10(12-13)11(8-9)20(14,15)16/h2-3,8H,4-7H2,1H3,(H,14,15,16)
InChIKeyVUTQJYXQCVWYSA-UHFFFAOYSA-N
MW418.21 g/mol
LogP1.46
Rot. Bonds9

About 2-iodosyl-5-[2-(2-methoxyethoxy)ethoxy]benzenesulfonic acid

2-iodosyl-5-[2-(2-methoxyethoxy)ethoxy]benzenesulfonic acid (PubChem CID 23357108) has the molecular formula C11H15IO7S and a molecular weight of 418.21 g/mol. Its IUPAC name is 2-iodosyl-5-[2-(2-methoxyethoxy)ethoxy]benzenesulfonic acid.

Molecular Properties

Compound Name2-iodosyl-5-[2-(2-methoxyethoxy)ethoxy]benzenesulfonic acid
PubChem CID23357108
Molecular FormulaC11H15IO7S
Molecular Weight418.21 g/mol
Exact Mass417.96
IUPAC Name2-iodosyl-5-[2-(2-methoxyethoxy)ethoxy]benzenesulfonic acid
SMILESCOCCOCCOc1ccc(I=O)c(S(=O)(=O)O)c1
InChIInChI=1S/C11H15IO7S/c1-17-4-5-18-6-7-19-9-2-3-10(12-13)11(8-9)20(14,15)16/h2-3,8H,4-7H2,1H3,(H,14,15,16)
InChIKeyVUTQJYXQCVWYSA-UHFFFAOYSA-N
XLogP1.46
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid
CID 20595012
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride
CID 141339492
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid
CID 101488478
4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid
CID 21471088
4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid
CID 103175922
3-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenesulfonic acid
CID 87126341
2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate
CID 143968517
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzonitrile
CID 177395107

Frequently Asked Questions

What is the IUPAC name of 2-iodosyl-5-[2-(2-methoxyethoxy)ethoxy]benzenesulfonic acid?
The IUPAC name of 2-iodosyl-5-[2-(2-methoxyethoxy)ethoxy]benzenesulfonic acid (CID 23357108) is 2-iodosyl-5-[2-(2-methoxyethoxy)ethoxy]benzenesulfonic acid.
What is the SMILES notation for 2-iodosyl-5-[2-(2-methoxyethoxy)ethoxy]benzenesulfonic acid?
The canonical SMILES for 2-iodosyl-5-[2-(2-methoxyethoxy)ethoxy]benzenesulfonic acid is COCCOCCOc1ccc(I=O)c(S(=O)(=O)O)c1.
What is the InChIKey of 2-iodosyl-5-[2-(2-methoxyethoxy)ethoxy]benzenesulfonic acid?
The InChIKey is VUTQJYXQCVWYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO7S/c1-17-4-5-18-6-7-19-9-2-3-10(12-13)11(8-9)20(14,15)16/h2-3,8H,4-7H2,1H3,(H,14,15,16).
What are the key properties of 2-iodosyl-5-[2-(2-methoxyethoxy)ethoxy]benzenesulfonic acid?
2-iodosyl-5-[2-(2-methoxyethoxy)ethoxy]benzenesulfonic acid has a molecular weight of 418.21 g/mol, XLogP of 1.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodosyl-5-[2-(2-methoxyethoxy)ethoxy]benzenesulfonic acid is sourced from PubChem (CID 23357108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).