N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine

C33H35N5O2S — CID 134130116

IUPACN-[2-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)cccc21
InChIInChI=1S/C33H35N5O2S/c39-41(40,25-9-2-1-3-10-25)38-19-17-28-31(15-8-16-32(28)38)37-23-21-36(22-24-37)20-18-34-33-26-11-4-6-13-29(26)35-30-14-7-5-12-27(30)33/h1-4,6,8-11,13,15-17,19H,5,7,12,14,18,20-24H2,(H,34,35)
InChIKeyHFXNFOSTKCPMIS-UHFFFAOYSA-N
MW565.74 g/mol
LogP5.54
Rot. Bonds7

About N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine

N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 134130116) has the molecular formula C33H35N5O2S and a molecular weight of 565.74 g/mol. Its IUPAC name is N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[2-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID134130116
Molecular FormulaC33H35N5O2S
Molecular Weight565.74 g/mol
Exact Mass565.25
IUPAC NameN-[2-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)cccc21
InChIInChI=1S/C33H35N5O2S/c39-41(40,25-9-2-1-3-10-25)38-19-17-28-31(15-8-16-32(28)38)37-23-21-36(22-24-37)20-18-34-33-26-11-4-6-13-29(26)35-30-14-7-5-12-27(30)33/h1-4,6,8-11,13,15-17,19H,5,7,12,14,18,20-24H2,(H,34,35)
InChIKeyHFXNFOSTKCPMIS-UHFFFAOYSA-N
XLogP5.54
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.74
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 134130116) is N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine is O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)cccc21.
What is the InChIKey of N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is HFXNFOSTKCPMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N5O2S/c39-41(40,25-9-2-1-3-10-25)38-19-17-28-31(15-8-16-32(28)38)37-23-21-36(22-24-37)20-18-34-33-26-11-4-6-13-29(26)35-30-14-7-5-12-27(30)33/h1-4,6,8-11,13,15-17,19H,5,7,12,14,18,20-24H2,(H,34,35).
What are the key properties of N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 565.74 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 134130116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).