4-ethoxy-N-ethylnaphthalene-1-sulfonamide

C14H17NO3S — CID 2235792

IUPAC4-ethoxy-N-ethylnaphthalene-1-sulfonamide
SMILESCCNS(=O)(=O)c1ccc(OCC)c2ccccc12
InChIInChI=1S/C14H17NO3S/c1-3-15-19(16,17)14-10-9-13(18-4-2)11-7-5-6-8-12(11)14/h5-10,15H,3-4H2,1-2H3
InChIKeyDHYMETKPNOGMQV-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.54
Rot. Bonds5

About 4-ethoxy-N-ethylnaphthalene-1-sulfonamide

4-ethoxy-N-ethylnaphthalene-1-sulfonamide (PubChem CID 2235792) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-ethoxy-N-ethylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-ethylnaphthalene-1-sulfonamide
PubChem CID2235792
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name4-ethoxy-N-ethylnaphthalene-1-sulfonamide
SMILESCCNS(=O)(=O)c1ccc(OCC)c2ccccc12
InChIInChI=1S/C14H17NO3S/c1-3-15-19(16,17)14-10-9-13(18-4-2)11-7-5-6-8-12(11)14/h5-10,15H,3-4H2,1-2H3
InChIKeyDHYMETKPNOGMQV-UHFFFAOYSA-N
XLogP2.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide
CID 120583247
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543
4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904
N-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide
CID 25248834
N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide
CID 3605939
sodium;4-ethoxynaphthalene-1-sulfonic acid;hydride
CID 173109617
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide
CID 47071849
N-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide
CID 71852690
4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride
CID 119968708
N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide
CID 60579353
2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate
CID 5046040

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethylnaphthalene-1-sulfonamide?
The IUPAC name of 4-ethoxy-N-ethylnaphthalene-1-sulfonamide (CID 2235792) is 4-ethoxy-N-ethylnaphthalene-1-sulfonamide.
What is the SMILES notation for 4-ethoxy-N-ethylnaphthalene-1-sulfonamide?
The canonical SMILES for 4-ethoxy-N-ethylnaphthalene-1-sulfonamide is CCNS(=O)(=O)c1ccc(OCC)c2ccccc12.
What is the InChIKey of 4-ethoxy-N-ethylnaphthalene-1-sulfonamide?
The InChIKey is DHYMETKPNOGMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-3-15-19(16,17)14-10-9-13(18-4-2)11-7-5-6-8-12(11)14/h5-10,15H,3-4H2,1-2H3.
What are the key properties of 4-ethoxy-N-ethylnaphthalene-1-sulfonamide?
4-ethoxy-N-ethylnaphthalene-1-sulfonamide has a molecular weight of 279.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethylnaphthalene-1-sulfonamide is sourced from PubChem (CID 2235792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).