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

C24H26N2O2S — CID 16718916

IUPACN-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-1-sulfonamide
SMILESCC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2C1
InChIInChI=1S/C24H26N2O2S/c1-17-15-19-11-12-20(16-23(19)21(17)13-14-26(2)3)25-29(27,28)24-10-6-8-18-7-4-5-9-22(18)24/h4-12,16,25H,13-15H2,1-3H3
InChIKeyLJDDOHSDSJQCGW-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.92
Rot. Bonds6

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

N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-1-sulfonamide (PubChem CID 16718916) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-1-sulfonamide
PubChem CID16718916
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC NameN-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-1-sulfonamide
SMILESCC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2C1
InChIInChI=1S/C24H26N2O2S/c1-17-15-19-11-12-20(16-23(19)21(17)13-14-26(2)3)25-29(27,28)24-10-6-8-18-7-4-5-9-22(18)24/h4-12,16,25H,13-15H2,1-3H3
InChIKeyLJDDOHSDSJQCGW-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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Related Compounds

Dansylamide
CID 65077
Monodansylcadaverine
CID 4247
4-methyl-N-(naphthalen-2-yl)benzenesulfonamide
CID 224144
FluoroBora I
CID 150643
Dansylethylenediamine
CID 161851
2-[3-(4-Phenyl-1,2,3,6-tetrahydro-1-pyridyl)propyl]naphtho[1,8-cd]isothiazole 1,1-dioxide
CID 14580027
Pyrrolidine, 1-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-
CID 738896
6-(Dimethylamino)-3-phenyl-2,3-dihydronaphtho[1,8-de][1,2]thiazine 1,1-dioxide (7a)
CID 126842699
N1-dansyl-spermine
CID 9889212
Methyl[(4-methylphenyl)sulfonyl]-2-naphthylamine
CID 854268
N-(2-naphthyl)benzenesulfonamide
CID 346543
2-[4-(4-Phenyl-1,2,3,6-tetrahydro-1-pyridyl)butyl]naphtho[1,8-cd]isothiazole 1,1-dioxide
CID 15710725

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-1-sulfonamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-1-sulfonamide (CID 16718916) is N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-1-sulfonamide is CC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2C1.
What is the InChIKey of N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-1-sulfonamide?
The InChIKey is LJDDOHSDSJQCGW-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)25-29(27,28)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 N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-1-sulfonamide?
N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-1-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 N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 16718916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).