4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride

C14H25ClN2O4S — CID 120717823

IUPAC4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cc(C)c(OC)cc1C.Cl
InChIInChI=1S/C14H24N2O4S.ClH/c1-11-10-14(12(2)9-13(11)20-4)21(17,18)16-6-5-15-7-8-19-3;/h9-10,15-16H,5-8H2,1-4H3;1H
InChIKeyHIPFRPJULBPOLX-UHFFFAOYSA-N
MW352.88 g/mol
LogP1.25
Rot. Bonds9

About 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride

4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 120717823) has the molecular formula C14H25ClN2O4S and a molecular weight of 352.88 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
PubChem CID120717823
Molecular FormulaC14H25ClN2O4S
Molecular Weight352.88 g/mol
Exact Mass352.12
IUPAC Name4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cc(C)c(OC)cc1C.Cl
InChIInChI=1S/C14H24N2O4S.ClH/c1-11-10-14(12(2)9-13(11)20-4)21(17,18)16-6-5-15-7-8-19-3;/h9-10,15-16H,5-8H2,1-4H3;1H
InChIKeyHIPFRPJULBPOLX-UHFFFAOYSA-N
XLogP1.25
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.88
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120717418
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
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
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-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039819
3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120717462
methyl 3-[2-(2-methoxyethylamino)ethylsulfamoyl]-4-methylbenzoate
CID 120717524
4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113101876

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride (CID 120717823) is 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride is COCCNCCNS(=O)(=O)c1cc(C)c(OC)cc1C.Cl.
What is the InChIKey of 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is HIPFRPJULBPOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S.ClH/c1-11-10-14(12(2)9-13(11)20-4)21(17,18)16-6-5-15-7-8-19-3;/h9-10,15-16H,5-8H2,1-4H3;1H.
What are the key properties of 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride?
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 352.88 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120717823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).