2-(benzenesulfonyl)-5-iodo-1,3-oxazole

C9H6INO3S — CID 45103361

IUPAC2-(benzenesulfonyl)-5-iodo-1,3-oxazole
SMILESO=S(=O)(c1ccccc1)c1ncc(I)o1
InChIInChI=1S/C9H6INO3S/c10-8-6-11-9(14-8)15(12,13)7-4-2-1-3-5-7/h1-6H
InChIKeyWODYXPPDHJMSCS-UHFFFAOYSA-N
MW335.12 g/mol
LogP2.11
Rot. Bonds2

About 2-(benzenesulfonyl)-5-iodo-1,3-oxazole

2-(benzenesulfonyl)-5-iodo-1,3-oxazole (PubChem CID 45103361) has the molecular formula C9H6INO3S and a molecular weight of 335.12 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-iodo-1,3-oxazole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-iodo-1,3-oxazole
PubChem CID45103361
Molecular FormulaC9H6INO3S
Molecular Weight335.12 g/mol
Exact Mass334.91
IUPAC Name2-(benzenesulfonyl)-5-iodo-1,3-oxazole
SMILESO=S(=O)(c1ccccc1)c1ncc(I)o1
InChIInChI=1S/C9H6INO3S/c10-8-6-11-9(14-8)15(12,13)7-4-2-1-3-5-7/h1-6H
InChIKeyWODYXPPDHJMSCS-UHFFFAOYSA-N
XLogP2.11
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-iodo-1,3-oxazole?
The IUPAC name of 2-(benzenesulfonyl)-5-iodo-1,3-oxazole (CID 45103361) is 2-(benzenesulfonyl)-5-iodo-1,3-oxazole.
What is the SMILES notation for 2-(benzenesulfonyl)-5-iodo-1,3-oxazole?
The canonical SMILES for 2-(benzenesulfonyl)-5-iodo-1,3-oxazole is O=S(=O)(c1ccccc1)c1ncc(I)o1.
What is the InChIKey of 2-(benzenesulfonyl)-5-iodo-1,3-oxazole?
The InChIKey is WODYXPPDHJMSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6INO3S/c10-8-6-11-9(14-8)15(12,13)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 2-(benzenesulfonyl)-5-iodo-1,3-oxazole?
2-(benzenesulfonyl)-5-iodo-1,3-oxazole has a molecular weight of 335.12 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-iodo-1,3-oxazole is sourced from PubChem (CID 45103361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).