4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide

C12H21N3O4S — CID 82899707

IUPAC4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NCCOCCOC)c1
InChIInChI=1S/C12H21N3O4S/c1-14-20(16,17)10-3-4-11(13)12(9-10)15-5-6-19-8-7-18-2/h3-4,9,14-15H,5-8,13H2,1-2H3
InChIKeySFWJLAKCUIYDPM-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.25
Rot. Bonds9

About 4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide

4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide (PubChem CID 82899707) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide
PubChem CID82899707
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NCCOCCOC)c1
InChIInChI=1S/C12H21N3O4S/c1-14-20(16,17)10-3-4-11(13)12(9-10)15-5-6-19-8-7-18-2/h3-4,9,14-15H,5-8,13H2,1-2H3
InChIKeySFWJLAKCUIYDPM-UHFFFAOYSA-N
XLogP0.25
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide
CID 82898084
3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide
CID 104559947
3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 62498772
4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 82901368
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 82898095
4-amino-N-methyl-3-(3-sulfamoylpropylamino)benzenesulfonamide
CID 82900018
4-amino-3-(2-butoxyethylamino)benzenesulfonamide
CID 82908082
4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81437876
3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide
CID 62843446
3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106166710
3-amino-N-[2-(2-methoxyethylamino)-5-(methylsulfamoyl)phenyl]-2-methylbutanamide
CID 120501906
4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide
CID 82898353

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide (CID 82899707) is 4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(NCCOCCOC)c1.
What is the InChIKey of 4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide?
The InChIKey is SFWJLAKCUIYDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-14-20(16,17)10-3-4-11(13)12(9-10)15-5-6-19-8-7-18-2/h3-4,9,14-15H,5-8,13H2,1-2H3.
What are the key properties of 4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide?
4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 0.25, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 82899707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).