3-[2-(dimethylamino)ethyl]-2-methyl-N-naphthalen-1-yl-1H-indene-5-sulfonamide

C24H26N2O2S — CID 25208878

IUPAC3-[2-(dimethylamino)ethyl]-2-methyl-N-naphthalen-1-yl-1H-indene-5-sulfonamide
SMILESCC1=C(CCN(C)C)c2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc2C1
InChIInChI=1S/C24H26N2O2S/c1-17-15-19-11-12-20(16-23(19)21(17)13-14-26(2)3)29(27,28)25-24-10-6-8-18-7-4-5-9-22(18)24/h4-12,16,25H,13-15H2,1-3H3
InChIKeyNCXJCTGPMJFTES-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.92
Rot. Bonds6

About 3-[2-(dimethylamino)ethyl]-2-methyl-N-naphthalen-1-yl-1H-indene-5-sulfonamide

3-[2-(dimethylamino)ethyl]-2-methyl-N-naphthalen-1-yl-1H-indene-5-sulfonamide (PubChem CID 25208878) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-2-methyl-N-naphthalen-1-yl-1H-indene-5-sulfonamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-2-methyl-N-naphthalen-1-yl-1H-indene-5-sulfonamide
PubChem CID25208878
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name3-[2-(dimethylamino)ethyl]-2-methyl-N-naphthalen-1-yl-1H-indene-5-sulfonamide
SMILESCC1=C(CCN(C)C)c2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc2C1
InChIInChI=1S/C24H26N2O2S/c1-17-15-19-11-12-20(16-23(19)21(17)13-14-26(2)3)29(27,28)25-24-10-6-8-18-7-4-5-9-22(18)24/h4-12,16,25H,13-15H2,1-3H3
InChIKeyNCXJCTGPMJFTES-UHFFFAOYSA-N
XLogP4.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-2-methyl-N-naphthalen-1-yl-1H-indene-5-sulfonamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-2-methyl-N-naphthalen-1-yl-1H-indene-5-sulfonamide (CID 25208878) is 3-[2-(dimethylamino)ethyl]-2-methyl-N-naphthalen-1-yl-1H-indene-5-sulfonamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-2-methyl-N-naphthalen-1-yl-1H-indene-5-sulfonamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-2-methyl-N-naphthalen-1-yl-1H-indene-5-sulfonamide is CC1=C(CCN(C)C)c2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc2C1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-2-methyl-N-naphthalen-1-yl-1H-indene-5-sulfonamide?
The InChIKey is NCXJCTGPMJFTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-17-15-19-11-12-20(16-23(19)21(17)13-14-26(2)3)29(27,28)25-24-10-6-8-18-7-4-5-9-22(18)24/h4-12,16,25H,13-15H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-2-methyl-N-naphthalen-1-yl-1H-indene-5-sulfonamide?
3-[2-(dimethylamino)ethyl]-2-methyl-N-naphthalen-1-yl-1H-indene-5-sulfonamide has a molecular weight of 406.55 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-2-methyl-N-naphthalen-1-yl-1H-indene-5-sulfonamide is sourced from PubChem (CID 25208878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).