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

C20H24N2O2S — CID 155562755

IUPAC1-(benzenesulfonyl)-4-(1-methylpiperidin-4-yl)-2,3-dihydroindole
SMILESCN1CCC(c2cccc3c2CCN3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O2S/c1-21-13-10-16(11-14-21)18-8-5-9-20-19(18)12-15-22(20)25(23,24)17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3
InChIKeyQMGAQVMXBWMZJF-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.25
Rot. Bonds3

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

1-(benzenesulfonyl)-4-(1-methylpiperidin-4-yl)-2,3-dihydroindole (PubChem CID 155562755) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(1-methylpiperidin-4-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(1-methylpiperidin-4-yl)-2,3-dihydroindole
PubChem CID155562755
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name1-(benzenesulfonyl)-4-(1-methylpiperidin-4-yl)-2,3-dihydroindole
SMILESCN1CCC(c2cccc3c2CCN3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O2S/c1-21-13-10-16(11-14-21)18-8-5-9-20-19(18)12-15-22(20)25(23,24)17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3
InChIKeyQMGAQVMXBWMZJF-UHFFFAOYSA-N
XLogP3.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.25
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-methylpiperidin-4-yl)-2,3-dihydroindole?
The IUPAC name of 1-(benzenesulfonyl)-4-(1-methylpiperidin-4-yl)-2,3-dihydroindole (CID 155562755) is 1-(benzenesulfonyl)-4-(1-methylpiperidin-4-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(1-methylpiperidin-4-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(benzenesulfonyl)-4-(1-methylpiperidin-4-yl)-2,3-dihydroindole is CN1CCC(c2cccc3c2CCN3S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(1-methylpiperidin-4-yl)-2,3-dihydroindole?
The InChIKey is QMGAQVMXBWMZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-21-13-10-16(11-14-21)18-8-5-9-20-19(18)12-15-22(20)25(23,24)17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-(1-methylpiperidin-4-yl)-2,3-dihydroindole?
1-(benzenesulfonyl)-4-(1-methylpiperidin-4-yl)-2,3-dihydroindole has a molecular weight of 356.49 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(1-methylpiperidin-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 155562755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).