4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide

C11H18N2O3S — CID 43426324

IUPAC4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide
SMILESCOCCNC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H18N2O3S/c1-9(13-7-8-16-2)10-3-5-11(6-4-10)17(12,14)15/h3-6,9,13H,7-8H2,1-2H3,(H2,12,14,15)
InChIKeyAQVDXCZWOASQDP-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.63
Rot. Bonds6

About 4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide

4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide (PubChem CID 43426324) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide
PubChem CID43426324
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide
SMILESCOCCNC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H18N2O3S/c1-9(13-7-8-16-2)10-3-5-11(6-4-10)17(12,14)15/h3-6,9,13H,7-8H2,1-2H3,(H2,12,14,15)
InChIKeyAQVDXCZWOASQDP-UHFFFAOYSA-N
XLogP0.63
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]benzenesulfonamide
CID 63828539
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide
CID 43758356
4-[1-[2-(tert-butylamino)ethylamino]ethyl]benzenesulfonamide
CID 107444925
4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide
CID 43754787
4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide
CID 115898464
methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate
CID 43228683
(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
CID 26601188
(1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine
CID 93281051
4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
CID 43763574
N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43218255
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide (CID 43426324) is 4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide is COCCNC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide?
The InChIKey is AQVDXCZWOASQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-9(13-7-8-16-2)10-3-5-11(6-4-10)17(12,14)15/h3-6,9,13H,7-8H2,1-2H3,(H2,12,14,15).
What are the key properties of 4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide?
4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43426324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).