2-sulfonylindole

C8H5NO2S — CID 22034373

IUPAC2-sulfonylindole
SMILESO=S(=O)=C1C=c2ccccc2=N1
InChIInChI=1S/C8H5NO2S/c10-12(11)8-5-6-3-1-2-4-7(6)9-8/h1-5H
InChIKeyDWLZJKNCWVJFOO-UHFFFAOYSA-N
MW179.20 g/mol
LogP-0.89
Rot. Bonds

About 2-sulfonylindole

2-sulfonylindole (PubChem CID 22034373) has the molecular formula C8H5NO2S and a molecular weight of 179.20 g/mol. Its IUPAC name is 2-sulfonylindole.

Molecular Properties

Compound Name2-sulfonylindole
PubChem CID22034373
Molecular FormulaC8H5NO2S
Molecular Weight179.20 g/mol
Exact Mass179.00
IUPAC Name2-sulfonylindole
SMILESO=S(=O)=C1C=c2ccccc2=N1
InChIInChI=1S/C8H5NO2S/c10-12(11)8-5-6-3-1-2-4-7(6)9-8/h1-5H
InChIKeyDWLZJKNCWVJFOO-UHFFFAOYSA-N
XLogP-0.89
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfonylindole?
The IUPAC name of 2-sulfonylindole (CID 22034373) is 2-sulfonylindole.
What is the SMILES notation for 2-sulfonylindole?
The canonical SMILES for 2-sulfonylindole is O=S(=O)=C1C=c2ccccc2=N1.
What is the InChIKey of 2-sulfonylindole?
The InChIKey is DWLZJKNCWVJFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2S/c10-12(11)8-5-6-3-1-2-4-7(6)9-8/h1-5H.
What are the key properties of 2-sulfonylindole?
2-sulfonylindole has a molecular weight of 179.20 g/mol, XLogP of -0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfonylindole is sourced from PubChem (CID 22034373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).