4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide

C12H20N2O4S — CID 47294827

IUPAC4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide
SMILESCOCCN(C)CCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H20N2O4S/c1-14(7-9-17-2)8-10-18-11-3-5-12(6-4-11)19(13,15)16/h3-6H,7-10H2,1-2H3,(H2,13,15,16)
InChIKeyYMBQKXQZCCVEFJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.29
Rot. Bonds8

About 4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide

4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide (PubChem CID 47294827) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide
PubChem CID47294827
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide
SMILESCOCCN(C)CCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H20N2O4S/c1-14(7-9-17-2)8-10-18-11-3-5-12(6-4-11)19(13,15)16/h3-6H,7-10H2,1-2H3,(H2,13,15,16)
InChIKeyYMBQKXQZCCVEFJ-UHFFFAOYSA-N
XLogP0.29
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(dimethylamino)ethoxy]benzenesulfonamide
CID 22244704
4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide
CID 34600685
N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424
2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate
CID 34429524
4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline
CID 61427012
4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 61427149
4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide
CID 34696726
4-(4-propoxyphenoxy)benzenesulfonamide
CID 43342703
N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide
CID 38171543
2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile
CID 61427477
4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]ethoxy]benzenesulfonamide
CID 34712914
4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide
CID 56564058

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide (CID 47294827) is 4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide is COCCN(C)CCOc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide?
The InChIKey is YMBQKXQZCCVEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-14(7-9-17-2)8-10-18-11-3-5-12(6-4-11)19(13,15)16/h3-6H,7-10H2,1-2H3,(H2,13,15,16).
What are the key properties of 4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide?
4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide is sourced from PubChem (CID 47294827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).