1-(benzenesulfonyl)-4-(2-piperidin-1-ylethoxy)indole

C21H24N2O3S — CID 10178089

IUPAC1-(benzenesulfonyl)-4-(2-piperidin-1-ylethoxy)indole
SMILESO=S(=O)(c1ccccc1)n1ccc2c(OCCN3CCCCC3)cccc21
InChIInChI=1S/C21H24N2O3S/c24-27(25,18-8-3-1-4-9-18)23-15-12-19-20(23)10-7-11-21(19)26-17-16-22-13-5-2-6-14-22/h1,3-4,7-12,15H,2,5-6,13-14,16-17H2
InChIKeyUSFYLXKJYGJWMA-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.74
Rot. Bonds6

About 1-(benzenesulfonyl)-4-(2-piperidin-1-ylethoxy)indole

1-(benzenesulfonyl)-4-(2-piperidin-1-ylethoxy)indole (PubChem CID 10178089) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(2-piperidin-1-ylethoxy)indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(2-piperidin-1-ylethoxy)indole
PubChem CID10178089
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name1-(benzenesulfonyl)-4-(2-piperidin-1-ylethoxy)indole
SMILESO=S(=O)(c1ccccc1)n1ccc2c(OCCN3CCCCC3)cccc21
InChIInChI=1S/C21H24N2O3S/c24-27(25,18-8-3-1-4-9-18)23-15-12-19-20(23)10-7-11-21(19)26-17-16-22-13-5-2-6-14-22/h1,3-4,7-12,15H,2,5-6,13-14,16-17H2
InChIKeyUSFYLXKJYGJWMA-UHFFFAOYSA-N
XLogP3.74
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(2-piperidin-1-ylethoxy)indole?
The IUPAC name of 1-(benzenesulfonyl)-4-(2-piperidin-1-ylethoxy)indole (CID 10178089) is 1-(benzenesulfonyl)-4-(2-piperidin-1-ylethoxy)indole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(2-piperidin-1-ylethoxy)indole?
The canonical SMILES for 1-(benzenesulfonyl)-4-(2-piperidin-1-ylethoxy)indole is O=S(=O)(c1ccccc1)n1ccc2c(OCCN3CCCCC3)cccc21.
What is the InChIKey of 1-(benzenesulfonyl)-4-(2-piperidin-1-ylethoxy)indole?
The InChIKey is USFYLXKJYGJWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c24-27(25,18-8-3-1-4-9-18)23-15-12-19-20(23)10-7-11-21(19)26-17-16-22-13-5-2-6-14-22/h1,3-4,7-12,15H,2,5-6,13-14,16-17H2.
What are the key properties of 1-(benzenesulfonyl)-4-(2-piperidin-1-ylethoxy)indole?
1-(benzenesulfonyl)-4-(2-piperidin-1-ylethoxy)indole has a molecular weight of 384.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(2-piperidin-1-ylethoxy)indole is sourced from PubChem (CID 10178089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).