5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide

C13H16N2O3S — CID 15680791

IUPAC5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide
SMILESCOCCNS(=O)(=O)c1cccc2c(N)cccc12
InChIInChI=1S/C13H16N2O3S/c1-18-9-8-15-19(16,17)13-7-3-4-10-11(13)5-2-6-12(10)14/h2-7,15H,8-9,14H2,1H3
InChIKeyHUPYBBXKBJKDRG-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.35
Rot. Bonds5

About 5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide

5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide (PubChem CID 15680791) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide
PubChem CID15680791
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide
SMILESCOCCNS(=O)(=O)c1cccc2c(N)cccc12
InChIInChI=1S/C13H16N2O3S/c1-18-9-8-15-19(16,17)13-7-3-4-10-11(13)5-2-6-12(10)14/h2-7,15H,8-9,14H2,1H3
InChIKeyHUPYBBXKBJKDRG-UHFFFAOYSA-N
XLogP1.35
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide
CID 15680796
2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 62058435
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
5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide
CID 69050845
5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride
CID 69048090
2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
CID 29054263
3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide
CID 103303676
5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride
CID 22932490
3-amino-N-(3-methoxypropyl)-2-nitrobenzenesulfonamide
CID 112675302
4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide
CID 104762860
2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
CID 104859338
1-N-(2-methoxyethyl)isoquinoline-1,5-diamine
CID 82570231

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide?
The IUPAC name of 5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide (CID 15680791) is 5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide is COCCNS(=O)(=O)c1cccc2c(N)cccc12.
What is the InChIKey of 5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide?
The InChIKey is HUPYBBXKBJKDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-18-9-8-15-19(16,17)13-7-3-4-10-11(13)5-2-6-12(10)14/h2-7,15H,8-9,14H2,1H3.
What are the key properties of 5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide?
5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 15680791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).