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

C12H20N2O5S — CID 104559947

IUPAC3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OCCOCCOC)c(N)c1
InChIInChI=1S/C12H20N2O5S/c1-14-20(15,16)10-3-4-12(11(13)9-10)19-8-7-18-6-5-17-2/h3-4,9,14H,5-8,13H2,1-2H3
InChIKeyOIKDGMPLGMRTAV-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.22
Rot. Bonds9

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

3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide (PubChem CID 104559947) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide
PubChem CID104559947
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OCCOCCOC)c(N)c1
InChIInChI=1S/C12H20N2O5S/c1-14-20(15,16)10-3-4-12(11(13)9-10)19-8-7-18-6-5-17-2/h3-4,9,14H,5-8,13H2,1-2H3
InChIKeyOIKDGMPLGMRTAV-UHFFFAOYSA-N
XLogP0.22
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.22
H-Bond Donors ≤ 52
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

3-amino-N-methyl-4-(2-propoxyethoxy)benzenesulfonamide
CID 55234253
3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide
CID 54936668
3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide
CID 106446796
3-amino-4-butoxy-N-methylbenzenesulfonamide
CID 43449328
4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 82899707
5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
CID 103287723
3-amino-N-methyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43382810
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 104559855
4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81437876
3-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564096
4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 82901458
5-amino-2-[2-(2-methoxyethoxy)ethoxy]benzenesulfonamide
CID 104560023

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide (CID 104559947) is 3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(OCCOCCOC)c(N)c1.
What is the InChIKey of 3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide?
The InChIKey is OIKDGMPLGMRTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-14-20(15,16)10-3-4-12(11(13)9-10)19-8-7-18-6-5-17-2/h3-4,9,14H,5-8,13H2,1-2H3.
What are the key properties of 3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide?
3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 0.22, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide is sourced from PubChem (CID 104559947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).