1-iodosulfonyloxyanthracene

C14H9IO3S — CID 174474956

IUPAC1-iodosulfonyloxyanthracene
SMILESO=S(=O)(I)Oc1cccc2cc3ccccc3cc12
InChIInChI=1S/C14H9IO3S/c15-19(16,17)18-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H
InChIKeyRNYRCRNRADAOHW-UHFFFAOYSA-N
MW384.19 g/mol
LogP4.05
Rot. Bonds2

About 1-iodosulfonyloxyanthracene

1-iodosulfonyloxyanthracene (PubChem CID 174474956) has the molecular formula C14H9IO3S and a molecular weight of 384.19 g/mol. Its IUPAC name is 1-iodosulfonyloxyanthracene.

Molecular Properties

Compound Name1-iodosulfonyloxyanthracene
PubChem CID174474956
Molecular FormulaC14H9IO3S
Molecular Weight384.19 g/mol
Exact Mass383.93
IUPAC Name1-iodosulfonyloxyanthracene
SMILESO=S(=O)(I)Oc1cccc2cc3ccccc3cc12
InChIInChI=1S/C14H9IO3S/c15-19(16,17)18-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H
InChIKeyRNYRCRNRADAOHW-UHFFFAOYSA-N
XLogP4.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-iodosulfonyloxyanthracene 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

anthracen-1-yl anthracene-1-sulfonate
CID 174423512
dianthracen-1-yl 3,6-dioxocyclohexa-1,4-diene-1,2-disulfonate
CID 174450119
1-anthracen-1-ylperoxyanthracene
CID 87977353
magnesium;anthracen-1-yl ethenesulfonate;hydride
CID 174836320
anthracen-1-yl formate
CID 22404669
1-prop-2-enoxyanthracene
CID 141089148
naphthalen-1-yl sulfamate
CID 25056076
1-fluorosulfonyloxynaphthalene
CID 14897549
anthracene-1-sulfonic acid;hydrofluoride
CID 174515955
anthracen-1-yl 2-formylbenzoate
CID 141425213
anthracen-1-yl naphthalene-2-carboxylate
CID 151830595
1-(1-phenylethoxy)anthracene
CID 87845539

Frequently Asked Questions

What is the IUPAC name of 1-iodosulfonyloxyanthracene?
The IUPAC name of 1-iodosulfonyloxyanthracene (CID 174474956) is 1-iodosulfonyloxyanthracene.
What is the SMILES notation for 1-iodosulfonyloxyanthracene?
The canonical SMILES for 1-iodosulfonyloxyanthracene is O=S(=O)(I)Oc1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-iodosulfonyloxyanthracene?
The InChIKey is RNYRCRNRADAOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IO3S/c15-19(16,17)18-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H.
What are the key properties of 1-iodosulfonyloxyanthracene?
1-iodosulfonyloxyanthracene has a molecular weight of 384.19 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodosulfonyloxyanthracene is sourced from PubChem (CID 174474956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).