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

C22H28N2O2S — CID 155553745

IUPAC1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole
SMILESCCCN1CCC(c2cccc3c2CCN3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H28N2O2S/c1-2-14-23-15-11-18(12-16-23)20-9-6-10-22-21(20)13-17-24(22)27(25,26)19-7-4-3-5-8-19/h3-10,18H,2,11-17H2,1H3
InChIKeyOQBXWWGQCMPQTM-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.03
Rot. Bonds5

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

1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole (PubChem CID 155553745) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole
PubChem CID155553745
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole
SMILESCCCN1CCC(c2cccc3c2CCN3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H28N2O2S/c1-2-14-23-15-11-18(12-16-23)20-9-6-10-22-21(20)13-17-24(22)27(25,26)19-7-4-3-5-8-19/h3-10,18H,2,11-17H2,1H3
InChIKeyOQBXWWGQCMPQTM-UHFFFAOYSA-N
XLogP4.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.03
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-propylpiperidin-4-yl)-2,3-dihydroindole?
The IUPAC name of 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole (CID 155553745) is 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole is CCCN1CCC(c2cccc3c2CCN3S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole?
The InChIKey is OQBXWWGQCMPQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-2-14-23-15-11-18(12-16-23)20-9-6-10-22-21(20)13-17-24(22)27(25,26)19-7-4-3-5-8-19/h3-10,18H,2,11-17H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole?
1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole has a molecular weight of 384.55 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 155553745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).