N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide

C20H19N3O2S — CID 24989478

IUPACN-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide
SMILESNCCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12
InChIInChI=1S/C20H19N3O2S/c21-11-10-15-13-22-19-9-8-16(12-18(15)19)23-26(24,25)20-7-3-5-14-4-1-2-6-17(14)20/h1-9,12-13,22-23H,10-11,21H2
InChIKeyILKHIAGKLDHBAU-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.62
Rot. Bonds5

About N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide

N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide (PubChem CID 24989478) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide
PubChem CID24989478
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide
SMILESNCCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12
InChIInChI=1S/C20H19N3O2S/c21-11-10-15-13-22-19-9-8-16(12-18(15)19)23-26(24,25)20-7-3-5-14-4-1-2-6-17(14)20/h1-9,12-13,22-23H,10-11,21H2
InChIKeyILKHIAGKLDHBAU-UHFFFAOYSA-N
XLogP3.62
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide
CID 52920134
5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide
CID 10224430
N,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide
CID 11510027
N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide
CID 10294044
N-[3-(2-aminoethyl)-1H-indol-5-yl]-6-chloroimidazo[2,1-b][1,3]thiazole-3-sulfonamide
CID 68822526
N-phenylnaphthalene-1-sulfonamide
CID 3816137
2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine
CID 11358502
1-[3-(2-aminoethyl)-1H-indol-5-yl]-3-methylurea;naphthalene-2-sulfonic acid;hydrate
CID 21276195
N-(4-anilinophenyl)naphthalene-1-sulfonamide
CID 86182181
1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 13286067
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
2-fluoro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11749539

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide?
The IUPAC name of N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide (CID 24989478) is N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide is NCCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12.
What is the InChIKey of N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide?
The InChIKey is ILKHIAGKLDHBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c21-11-10-15-13-22-19-9-8-16(12-18(15)19)23-26(24,25)20-7-3-5-14-4-1-2-6-17(14)20/h1-9,12-13,22-23H,10-11,21H2.
What are the key properties of N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide?
N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 24989478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).