phenoxymethanesulfonyl iodide

C7H7IO3S — CID 174484438

IUPACphenoxymethanesulfonyl iodide
SMILESO=S(=O)(I)COc1ccccc1
InChIInChI=1S/C7H7IO3S/c8-12(9,10)6-11-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyBSGKAUOJIYDRLV-UHFFFAOYSA-N
MW298.10 g/mol
LogP1.79
Rot. Bonds3

About phenoxymethanesulfonyl iodide

phenoxymethanesulfonyl iodide (PubChem CID 174484438) has the molecular formula C7H7IO3S and a molecular weight of 298.10 g/mol. Its IUPAC name is phenoxymethanesulfonyl iodide.

Molecular Properties

Compound Namephenoxymethanesulfonyl iodide
PubChem CID174484438
Molecular FormulaC7H7IO3S
Molecular Weight298.10 g/mol
Exact Mass297.92
IUPAC Namephenoxymethanesulfonyl iodide
SMILESO=S(=O)(I)COc1ccccc1
InChIInChI=1S/C7H7IO3S/c8-12(9,10)6-11-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyBSGKAUOJIYDRLV-UHFFFAOYSA-N
XLogP1.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze phenoxymethanesulfonyl iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenoxy-N-propylmethanesulfonamide
CID 67759583
ethoxybenzene;molecular iodine
CID 67763605
ethoxybenzene;ethoxyethane
CID 67764259
ethoxybenzene chloride
CID 21193593
phenoxymethylbenzene;sulfuric acid
CID 68982967
2-phenoxyethanesulfonamide
CID 54595861
chlorosulfonyloxymethoxybenzene
CID 55280416
N-[2-(phenoxymethylsulfonyl)phenyl]formamide
CID 168652907
2-chloroacetic acid;ethoxybenzene
CID 174963019
3-phenoxypropane-1-sulfonyl chloride
CID 62937989
1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171
sulfuryl dichloride;2,2,2-trifluoroethoxybenzene
CID 87396424

Frequently Asked Questions

What is the IUPAC name of phenoxymethanesulfonyl iodide?
The IUPAC name of phenoxymethanesulfonyl iodide (CID 174484438) is phenoxymethanesulfonyl iodide.
What is the SMILES notation for phenoxymethanesulfonyl iodide?
The canonical SMILES for phenoxymethanesulfonyl iodide is O=S(=O)(I)COc1ccccc1.
What is the InChIKey of phenoxymethanesulfonyl iodide?
The InChIKey is BSGKAUOJIYDRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IO3S/c8-12(9,10)6-11-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of phenoxymethanesulfonyl iodide?
phenoxymethanesulfonyl iodide has a molecular weight of 298.10 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxymethanesulfonyl iodide is sourced from PubChem (CID 174484438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).