5-(benzenesulfinyl)-1H-indole

C14H11NOS — CID 86221064

IUPAC5-(benzenesulfinyl)-1H-indole
SMILESO=S(c1ccccc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H11NOS/c16-17(12-4-2-1-3-5-12)13-6-7-14-11(10-13)8-9-15-14/h1-10,15H
InChIKeyHETVFSCZSJYUDW-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.33
Rot. Bonds2

About 5-(benzenesulfinyl)-1H-indole

5-(benzenesulfinyl)-1H-indole (PubChem CID 86221064) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-(benzenesulfinyl)-1H-indole.

Molecular Properties

Compound Name5-(benzenesulfinyl)-1H-indole
PubChem CID86221064
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name5-(benzenesulfinyl)-1H-indole
SMILESO=S(c1ccccc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H11NOS/c16-17(12-4-2-1-3-5-12)13-6-7-14-11(10-13)8-9-15-14/h1-10,15H
InChIKeyHETVFSCZSJYUDW-UHFFFAOYSA-N
XLogP3.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfinyl)-1H-indole?
The IUPAC name of 5-(benzenesulfinyl)-1H-indole (CID 86221064) is 5-(benzenesulfinyl)-1H-indole.
What is the SMILES notation for 5-(benzenesulfinyl)-1H-indole?
The canonical SMILES for 5-(benzenesulfinyl)-1H-indole is O=S(c1ccccc1)c1ccc2[nH]ccc2c1.
What is the InChIKey of 5-(benzenesulfinyl)-1H-indole?
The InChIKey is HETVFSCZSJYUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c16-17(12-4-2-1-3-5-12)13-6-7-14-11(10-13)8-9-15-14/h1-10,15H.
What are the key properties of 5-(benzenesulfinyl)-1H-indole?
5-(benzenesulfinyl)-1H-indole has a molecular weight of 241.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfinyl)-1H-indole is sourced from PubChem (CID 86221064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).