5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide

C16H22N2O4S — CID 15680796

IUPAC5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide
SMILESCCOCCOCCNS(=O)(=O)c1cccc2c(N)cccc12
InChIInChI=1S/C16H22N2O4S/c1-2-21-11-12-22-10-9-18-23(19,20)16-8-4-5-13-14(16)6-3-7-15(13)17/h3-8,18H,2,9-12,17H2,1H3
InChIKeyFCXUNOPJHITVFQ-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.75
Rot. Bonds9

About 5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide

5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide (PubChem CID 15680796) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide
PubChem CID15680796
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide
SMILESCCOCCOCCNS(=O)(=O)c1cccc2c(N)cccc12
InChIInChI=1S/C16H22N2O4S/c1-2-21-11-12-22-10-9-18-23(19,20)16-8-4-5-13-14(16)6-3-7-15(13)17/h3-8,18H,2,9-12,17H2,1H3
InChIKeyFCXUNOPJHITVFQ-UHFFFAOYSA-N
XLogP1.75
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-N-[2-(2-ethoxyethoxy)ethyl]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

5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide
CID 15680791
3-amino-N-(2-ethoxyethyl)-2-nitrobenzenesulfonamide
CID 112675241
5-(dimethylamino)-N-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide
CID 137348720
2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide
CID 43590960
5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide
CID 101495653
2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 106593983
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 142573981
N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106019677
5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide
CID 3456348
N-(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
CID 43591485
5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide
CID 64852259
5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride
CID 69048090

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide (CID 15680796) is 5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide is CCOCCOCCNS(=O)(=O)c1cccc2c(N)cccc12.
What is the InChIKey of 5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide?
The InChIKey is FCXUNOPJHITVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-2-21-11-12-22-10-9-18-23(19,20)16-8-4-5-13-14(16)6-3-7-15(13)17/h3-8,18H,2,9-12,17H2,1H3.
What are the key properties of 5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide?
5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 15680796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).