4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide

C17H22N2O6S2 — CID 56564058

IUPAC4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide
SMILESCOc1ccc(OCCN(C)c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)cc1
InChIInChI=1S/C17H22N2O6S2/c1-19(10-11-25-14-6-4-13(24-2)5-7-14)16-9-8-15(27(18,22)23)12-17(16)26(3,20)21/h4-9,12H,10-11H2,1-3H3,(H2,18,22,23)
InChIKeyIFXUUPXVGFGGES-UHFFFAOYSA-N
MW414.51 g/mol
LogP1.26
Rot. Bonds8

About 4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide

4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide (PubChem CID 56564058) has the molecular formula C17H22N2O6S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide
PubChem CID56564058
Molecular FormulaC17H22N2O6S2
Molecular Weight414.51 g/mol
Exact Mass414.09
IUPAC Name4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide
SMILESCOc1ccc(OCCN(C)c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)cc1
InChIInChI=1S/C17H22N2O6S2/c1-19(10-11-25-14-6-4-13(24-2)5-7-14)16-9-8-15(27(18,22)23)12-17(16)26(3,20)21/h4-9,12H,10-11H2,1-3H3,(H2,18,22,23)
InChIKeyIFXUUPXVGFGGES-UHFFFAOYSA-N
XLogP1.26
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide
CID 56578391
4-[2-(dimethylamino)ethoxy]benzenesulfonamide
CID 22244704
4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide
CID 34696726
4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide
CID 47294827
2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate
CID 34429524
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 9429656
3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide
CID 56578932
1-N-(2-methoxyethyl)-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine
CID 61427697
4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-methylsulfonylbenzenesulfonamide
CID 56563992
4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]ethoxy]benzenesulfonamide
CID 34712914
4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-nitrobenzonitrile
CID 78795191
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide?
The IUPAC name of 4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide (CID 56564058) is 4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide is COc1ccc(OCCN(C)c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide?
The InChIKey is IFXUUPXVGFGGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6S2/c1-19(10-11-25-14-6-4-13(24-2)5-7-14)16-9-8-15(27(18,22)23)12-17(16)26(3,20)21/h4-9,12H,10-11H2,1-3H3,(H2,18,22,23).
What are the key properties of 4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide?
4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide has a molecular weight of 414.51 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 56564058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).