1-(benzenesulfonyl)-4-(1-ethylpiperidin-4-yl)-2,3-dihydroindole

C21H26N2O2S — CID 155567666

IUPAC1-(benzenesulfonyl)-4-(1-ethylpiperidin-4-yl)-2,3-dihydroindole
SMILESCCN1CCC(c2cccc3c2CCN3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2S/c1-2-22-14-11-17(12-15-22)19-9-6-10-21-20(19)13-16-23(21)26(24,25)18-7-4-3-5-8-18/h3-10,17H,2,11-16H2,1H3
InChIKeyYQXATUVEKBYLGN-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.64
Rot. Bonds4

About 1-(benzenesulfonyl)-4-(1-ethylpiperidin-4-yl)-2,3-dihydroindole

1-(benzenesulfonyl)-4-(1-ethylpiperidin-4-yl)-2,3-dihydroindole (PubChem CID 155567666) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(1-ethylpiperidin-4-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(1-ethylpiperidin-4-yl)-2,3-dihydroindole
PubChem CID155567666
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name1-(benzenesulfonyl)-4-(1-ethylpiperidin-4-yl)-2,3-dihydroindole
SMILESCCN1CCC(c2cccc3c2CCN3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2S/c1-2-22-14-11-17(12-15-22)19-9-6-10-21-20(19)13-16-23(21)26(24,25)18-7-4-3-5-8-18/h3-10,17H,2,11-16H2,1H3
InChIKeyYQXATUVEKBYLGN-UHFFFAOYSA-N
XLogP3.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(1-ethylpiperidin-4-yl)-2,3-dihydroindole?
The IUPAC name of 1-(benzenesulfonyl)-4-(1-ethylpiperidin-4-yl)-2,3-dihydroindole (CID 155567666) is 1-(benzenesulfonyl)-4-(1-ethylpiperidin-4-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(1-ethylpiperidin-4-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(benzenesulfonyl)-4-(1-ethylpiperidin-4-yl)-2,3-dihydroindole is CCN1CCC(c2cccc3c2CCN3S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(1-ethylpiperidin-4-yl)-2,3-dihydroindole?
The InChIKey is YQXATUVEKBYLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-2-22-14-11-17(12-15-22)19-9-6-10-21-20(19)13-16-23(21)26(24,25)18-7-4-3-5-8-18/h3-10,17H,2,11-16H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-(1-ethylpiperidin-4-yl)-2,3-dihydroindole?
1-(benzenesulfonyl)-4-(1-ethylpiperidin-4-yl)-2,3-dihydroindole has a molecular weight of 370.52 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(1-ethylpiperidin-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 155567666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).