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

C23H28N2O2S — CID 155561102

IUPAC1-(benzenesulfonyl)-4-(1-cyclobutylpiperidin-4-yl)-2,3-dihydroindole
SMILESO=S(=O)(c1ccccc1)N1CCc2c(C3CCN(C4CCC4)CC3)cccc21
InChIInChI=1S/C23H28N2O2S/c26-28(27,20-8-2-1-3-9-20)25-17-14-22-21(10-5-11-23(22)25)18-12-15-24(16-13-18)19-6-4-7-19/h1-3,5,8-11,18-19H,4,6-7,12-17H2
InChIKeyCIFWZVFZJHWVIS-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.17
Rot. Bonds4

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

1-(benzenesulfonyl)-4-(1-cyclobutylpiperidin-4-yl)-2,3-dihydroindole (PubChem CID 155561102) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(1-cyclobutylpiperidin-4-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(1-cyclobutylpiperidin-4-yl)-2,3-dihydroindole
PubChem CID155561102
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC Name1-(benzenesulfonyl)-4-(1-cyclobutylpiperidin-4-yl)-2,3-dihydroindole
SMILESO=S(=O)(c1ccccc1)N1CCc2c(C3CCN(C4CCC4)CC3)cccc21
InChIInChI=1S/C23H28N2O2S/c26-28(27,20-8-2-1-3-9-20)25-17-14-22-21(10-5-11-23(22)25)18-12-15-24(16-13-18)19-6-4-7-19/h1-3,5,8-11,18-19H,4,6-7,12-17H2
InChIKeyCIFWZVFZJHWVIS-UHFFFAOYSA-N
XLogP4.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.17
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-cyclobutylpiperidin-4-yl)-2,3-dihydroindole?
The IUPAC name of 1-(benzenesulfonyl)-4-(1-cyclobutylpiperidin-4-yl)-2,3-dihydroindole (CID 155561102) is 1-(benzenesulfonyl)-4-(1-cyclobutylpiperidin-4-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(1-cyclobutylpiperidin-4-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(benzenesulfonyl)-4-(1-cyclobutylpiperidin-4-yl)-2,3-dihydroindole is O=S(=O)(c1ccccc1)N1CCc2c(C3CCN(C4CCC4)CC3)cccc21.
What is the InChIKey of 1-(benzenesulfonyl)-4-(1-cyclobutylpiperidin-4-yl)-2,3-dihydroindole?
The InChIKey is CIFWZVFZJHWVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c26-28(27,20-8-2-1-3-9-20)25-17-14-22-21(10-5-11-23(22)25)18-12-15-24(16-13-18)19-6-4-7-19/h1-3,5,8-11,18-19H,4,6-7,12-17H2.
What are the key properties of 1-(benzenesulfonyl)-4-(1-cyclobutylpiperidin-4-yl)-2,3-dihydroindole?
1-(benzenesulfonyl)-4-(1-cyclobutylpiperidin-4-yl)-2,3-dihydroindole has a molecular weight of 396.56 g/mol, XLogP of 4.17, 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-cyclobutylpiperidin-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 155561102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).