N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide

C16H22N2O3S — CID 120583247

IUPACN-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCCCN)c2ccccc12
InChIInChI=1S/C16H22N2O3S/c1-2-21-15-9-10-16(14-8-4-3-7-13(14)15)22(19,20)18-12-6-5-11-17/h3-4,7-10,18H,2,5-6,11-12,17H2,1H3
InChIKeyPZJDGYOWYHNUNT-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.26
Rot. Bonds8

About N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide

N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide (PubChem CID 120583247) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide
PubChem CID120583247
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCCCN)c2ccccc12
InChIInChI=1S/C16H22N2O3S/c1-2-21-15-9-10-16(14-8-4-3-7-13(14)15)22(19,20)18-12-6-5-11-17/h3-4,7-10,18H,2,5-6,11-12,17H2,1H3
InChIKeyPZJDGYOWYHNUNT-UHFFFAOYSA-N
XLogP2.26
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-aminobutyl)-4-ethoxynaphthalene-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

4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide
CID 164548551
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide
CID 47071849
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide
CID 120583360
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide;hydrochloride
CID 120583359
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide
CID 3605939
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
sodium;4-ethoxynaphthalene-1-sulfonic acid;hydride
CID 173109617
N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
CID 50987005
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543
4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide?
The IUPAC name of N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide (CID 120583247) is N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide is CCOc1ccc(S(=O)(=O)NCCCCN)c2ccccc12.
What is the InChIKey of N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide?
The InChIKey is PZJDGYOWYHNUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-2-21-15-9-10-16(14-8-4-3-7-13(14)15)22(19,20)18-12-6-5-11-17/h3-4,7-10,18H,2,5-6,11-12,17H2,1H3.
What are the key properties of N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide?
N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide has a molecular weight of 322.43 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 120583247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).