4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride

C14H25ClN2O5S — CID 120717418

IUPAC4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cc(OC)c(OC)cc1C.Cl
InChIInChI=1S/C14H24N2O5S.ClH/c1-11-9-12(20-3)13(21-4)10-14(11)22(17,18)16-6-5-15-7-8-19-2;/h9-10,15-16H,5-8H2,1-4H3;1H
InChIKeyHBEUYYIJPQXZDT-UHFFFAOYSA-N
MW368.88 g/mol
LogP0.95
Rot. Bonds10

About 4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride

4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride (PubChem CID 120717418) has the molecular formula C14H25ClN2O5S and a molecular weight of 368.88 g/mol. Its IUPAC name is 4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
PubChem CID120717418
Molecular FormulaC14H25ClN2O5S
Molecular Weight368.88 g/mol
Exact Mass368.12
IUPAC Name4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cc(OC)c(OC)cc1C.Cl
InChIInChI=1S/C14H24N2O5S.ClH/c1-11-9-12(20-3)13(21-4)10-14(11)22(17,18)16-6-5-15-7-8-19-2;/h9-10,15-16H,5-8H2,1-4H3;1H
InChIKeyHBEUYYIJPQXZDT-UHFFFAOYSA-N
XLogP0.95
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.88
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120717823
5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide
CID 120717636
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120717841
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119960117
N-[2-(2-methoxyethylamino)ethyl]-4,5-dimethyl-2-nitrobenzenesulfonamide;hydrochloride
CID 120717643
2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride
CID 120717697
4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039819
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35291236
3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120717462
N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 35304540
4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605995

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride (CID 120717418) is 4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride is COCCNCCNS(=O)(=O)c1cc(OC)c(OC)cc1C.Cl.
What is the InChIKey of 4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride?
The InChIKey is HBEUYYIJPQXZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5S.ClH/c1-11-9-12(20-3)13(21-4)10-14(11)22(17,18)16-6-5-15-7-8-19-2;/h9-10,15-16H,5-8H2,1-4H3;1H.
What are the key properties of 4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride?
4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride has a molecular weight of 368.88 g/mol, XLogP of 0.95, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120717418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).