3-(benzenesulfonyl)-4-(3-piperidin-1-ylpropyl)-2,3-dihydro-1H-indole

C22H28N2O2S — CID 70931130

IUPAC3-(benzenesulfonyl)-4-(3-piperidin-1-ylpropyl)-2,3-dihydro-1H-indole
SMILESO=S(=O)(c1ccccc1)C1CNc2cccc(CCCN3CCCCC3)c21
InChIInChI=1S/C22H28N2O2S/c25-27(26,19-11-3-1-4-12-19)21-17-23-20-13-7-9-18(22(20)21)10-8-16-24-14-5-2-6-15-24/h1,3-4,7,9,11-13,21,23H,2,5-6,8,10,14-17H2
InChIKeyMGVXRMZBHPVWOM-UHFFFAOYSA-N
MW384.54 g/mol
LogP4.05
Rot. Bonds6

About 3-(benzenesulfonyl)-4-(3-piperidin-1-ylpropyl)-2,3-dihydro-1H-indole

3-(benzenesulfonyl)-4-(3-piperidin-1-ylpropyl)-2,3-dihydro-1H-indole (PubChem CID 70931130) has the molecular formula C22H28N2O2S and a molecular weight of 384.54 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-(3-piperidin-1-ylpropyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-(3-piperidin-1-ylpropyl)-2,3-dihydro-1H-indole
PubChem CID70931130
Molecular FormulaC22H28N2O2S
Molecular Weight384.54 g/mol
Exact Mass384.19
IUPAC Name3-(benzenesulfonyl)-4-(3-piperidin-1-ylpropyl)-2,3-dihydro-1H-indole
SMILESO=S(=O)(c1ccccc1)C1CNc2cccc(CCCN3CCCCC3)c21
InChIInChI=1S/C22H28N2O2S/c25-27(26,19-11-3-1-4-12-19)21-17-23-20-13-7-9-18(22(20)21)10-8-16-24-14-5-2-6-15-24/h1,3-4,7,9,11-13,21,23H,2,5-6,8,10,14-17H2
InChIKeyMGVXRMZBHPVWOM-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4-(3-piperidin-1-ylpropyl)-2,3-dihydro-1H-indole?
The IUPAC name of 3-(benzenesulfonyl)-4-(3-piperidin-1-ylpropyl)-2,3-dihydro-1H-indole (CID 70931130) is 3-(benzenesulfonyl)-4-(3-piperidin-1-ylpropyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(benzenesulfonyl)-4-(3-piperidin-1-ylpropyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(benzenesulfonyl)-4-(3-piperidin-1-ylpropyl)-2,3-dihydro-1H-indole is O=S(=O)(c1ccccc1)C1CNc2cccc(CCCN3CCCCC3)c21.
What is the InChIKey of 3-(benzenesulfonyl)-4-(3-piperidin-1-ylpropyl)-2,3-dihydro-1H-indole?
The InChIKey is MGVXRMZBHPVWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c25-27(26,19-11-3-1-4-12-19)21-17-23-20-13-7-9-18(22(20)21)10-8-16-24-14-5-2-6-15-24/h1,3-4,7,9,11-13,21,23H,2,5-6,8,10,14-17H2.
What are the key properties of 3-(benzenesulfonyl)-4-(3-piperidin-1-ylpropyl)-2,3-dihydro-1H-indole?
3-(benzenesulfonyl)-4-(3-piperidin-1-ylpropyl)-2,3-dihydro-1H-indole has a molecular weight of 384.54 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4-(3-piperidin-1-ylpropyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 70931130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).