1-ethenylsulfonyl-6-iodo-2,3-dihydroindole

C10H10INO2S — CID 143184500

IUPAC1-ethenylsulfonyl-6-iodo-2,3-dihydroindole
SMILESC=CS(=O)(=O)N1CCc2ccc(I)cc21
InChIInChI=1S/C10H10INO2S/c1-2-15(13,14)12-6-5-8-3-4-9(11)7-10(8)12/h2-4,7H,1,5-6H2
InChIKeyDTJLUASMWUNZQA-UHFFFAOYSA-N
MW335.17 g/mol
LogP2.13
Rot. Bonds2

About 1-ethenylsulfonyl-6-iodo-2,3-dihydroindole

1-ethenylsulfonyl-6-iodo-2,3-dihydroindole (PubChem CID 143184500) has the molecular formula C10H10INO2S and a molecular weight of 335.17 g/mol. Its IUPAC name is 1-ethenylsulfonyl-6-iodo-2,3-dihydroindole.

Molecular Properties

Compound Name1-ethenylsulfonyl-6-iodo-2,3-dihydroindole
PubChem CID143184500
Molecular FormulaC10H10INO2S
Molecular Weight335.17 g/mol
Exact Mass334.95
IUPAC Name1-ethenylsulfonyl-6-iodo-2,3-dihydroindole
SMILESC=CS(=O)(=O)N1CCc2ccc(I)cc21
InChIInChI=1S/C10H10INO2S/c1-2-15(13,14)12-6-5-8-3-4-9(11)7-10(8)12/h2-4,7H,1,5-6H2
InChIKeyDTJLUASMWUNZQA-UHFFFAOYSA-N
XLogP2.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonyl-6-iodo-2,3-dihydroindole?
The IUPAC name of 1-ethenylsulfonyl-6-iodo-2,3-dihydroindole (CID 143184500) is 1-ethenylsulfonyl-6-iodo-2,3-dihydroindole.
What is the SMILES notation for 1-ethenylsulfonyl-6-iodo-2,3-dihydroindole?
The canonical SMILES for 1-ethenylsulfonyl-6-iodo-2,3-dihydroindole is C=CS(=O)(=O)N1CCc2ccc(I)cc21.
What is the InChIKey of 1-ethenylsulfonyl-6-iodo-2,3-dihydroindole?
The InChIKey is DTJLUASMWUNZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO2S/c1-2-15(13,14)12-6-5-8-3-4-9(11)7-10(8)12/h2-4,7H,1,5-6H2.
What are the key properties of 1-ethenylsulfonyl-6-iodo-2,3-dihydroindole?
1-ethenylsulfonyl-6-iodo-2,3-dihydroindole has a molecular weight of 335.17 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-6-iodo-2,3-dihydroindole is sourced from PubChem (CID 143184500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).