N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-naphthalen-1-ylethanesulfonamide

C24H27N3O2S — CID 11258709

IUPACN-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-naphthalen-1-ylethanesulfonamide
SMILESCN(C)CCn1ccc2ccc(NS(=O)(=O)CCc3cccc4ccccc34)cc21
InChIInChI=1S/C24H27N3O2S/c1-26(2)15-16-27-14-12-21-10-11-22(18-24(21)27)25-30(28,29)17-13-20-8-5-7-19-6-3-4-9-23(19)20/h3-12,14,18,25H,13,15-17H2,1-2H3
InChIKeyYBMWPCIPYFXGAM-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.34
Rot. Bonds8

About N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-naphthalen-1-ylethanesulfonamide

N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-naphthalen-1-ylethanesulfonamide (PubChem CID 11258709) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-naphthalen-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-naphthalen-1-ylethanesulfonamide
PubChem CID11258709
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC NameN-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-naphthalen-1-ylethanesulfonamide
SMILESCN(C)CCn1ccc2ccc(NS(=O)(=O)CCc3cccc4ccccc34)cc21
InChIInChI=1S/C24H27N3O2S/c1-26(2)15-16-27-14-12-21-10-11-22(18-24(21)27)25-30(28,29)17-13-20-8-5-7-19-6-3-4-9-23(19)20/h3-12,14,18,25H,13,15-17H2,1-2H3
InChIKeyYBMWPCIPYFXGAM-UHFFFAOYSA-N
XLogP4.34
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-naphthalen-1-ylethanesulfonamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-naphthalen-1-ylethanesulfonamide (CID 11258709) is N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-naphthalen-1-ylethanesulfonamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-naphthalen-1-ylethanesulfonamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-naphthalen-1-ylethanesulfonamide is CN(C)CCn1ccc2ccc(NS(=O)(=O)CCc3cccc4ccccc34)cc21.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-naphthalen-1-ylethanesulfonamide?
The InChIKey is YBMWPCIPYFXGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-26(2)15-16-27-14-12-21-10-11-22(18-24(21)27)25-30(28,29)17-13-20-8-5-7-19-6-3-4-9-23(19)20/h3-12,14,18,25H,13,15-17H2,1-2H3.
What are the key properties of N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-naphthalen-1-ylethanesulfonamide?
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-naphthalen-1-ylethanesulfonamide has a molecular weight of 421.57 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-naphthalen-1-ylethanesulfonamide is sourced from PubChem (CID 11258709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).