4-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide

C26H37N3O2S — CID 70645932

IUPAC4-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N(CCCN2CCc3ccccc32)C2CCNCC2)cc1
InChIInChI=1S/C26H37N3O2S/c1-26(2,3)22-9-11-24(12-10-22)32(30,31)29(23-13-16-27-17-14-23)19-6-18-28-20-15-21-7-4-5-8-25(21)28/h4-5,7-12,23,27H,6,13-20H2,1-3H3
InChIKeyKVESLTNOQPLVDG-UHFFFAOYSA-N
MW455.67 g/mol
LogP4.18
Rot. Bonds7

About 4-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide

4-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 70645932) has the molecular formula C26H37N3O2S and a molecular weight of 455.67 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide
PubChem CID70645932
Molecular FormulaC26H37N3O2S
Molecular Weight455.67 g/mol
Exact Mass455.26
IUPAC Name4-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N(CCCN2CCc3ccccc32)C2CCNCC2)cc1
InChIInChI=1S/C26H37N3O2S/c1-26(2,3)22-9-11-24(12-10-22)32(30,31)29(23-13-16-27-17-14-23)19-6-18-28-20-15-21-7-4-5-8-25(21)28/h4-5,7-12,23,27H,6,13-20H2,1-3H3
InChIKeyKVESLTNOQPLVDG-UHFFFAOYSA-N
XLogP4.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.67
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide (CID 70645932) is 4-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)N(CCCN2CCc3ccccc32)C2CCNCC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is KVESLTNOQPLVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2S/c1-26(2,3)22-9-11-24(12-10-22)32(30,31)29(23-13-16-27-17-14-23)19-6-18-28-20-15-21-7-4-5-8-25(21)28/h4-5,7-12,23,27H,6,13-20H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide?
4-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 455.67 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 70645932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).