4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide

C15H18N2O6S2 — CID 90518362

IUPAC4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
SMILESCOc1ccc(OCCS(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H18N2O6S2/c1-22-13-4-6-14(7-5-13)23-10-11-24(18,19)17-12-2-8-15(9-3-12)25(16,20)21/h2-9,17H,10-11H2,1H3,(H2,16,20,21)
InChIKeyRKWMSQVWAXSYIZ-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.16
Rot. Bonds8

About 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide

4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide (PubChem CID 90518362) has the molecular formula C15H18N2O6S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
PubChem CID90518362
Molecular FormulaC15H18N2O6S2
Molecular Weight386.45 g/mol
Exact Mass386.06
IUPAC Name4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
SMILESCOc1ccc(OCCS(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H18N2O6S2/c1-22-13-4-6-14(7-5-13)23-10-11-24(18,19)17-12-2-8-15(9-3-12)25(16,20)21/h2-9,17H,10-11H2,1H3,(H2,16,20,21)
InChIKeyRKWMSQVWAXSYIZ-UHFFFAOYSA-N
XLogP1.16
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 90518474
2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide
CID 90518388
N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide
CID 90518196
4-(2-hydroxyethylsulfonylamino)benzenesulfonamide
CID 79026491
2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate
CID 34429524
N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
CID 112987552
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
2-hydroxy-N-(4-propoxyphenyl)ethanesulfonamide
CID 79578942
2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-5-yl)ethanesulfonamide
CID 56764872
N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 114138792
4-(4-chlorobutylsulfonylamino)benzenesulfonamide
CID 3018484
2-(4-fluorophenoxy)-N-(6-methoxy-3-pyridinyl)ethanesulfonamide
CID 110301907

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide?
The IUPAC name of 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide (CID 90518362) is 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide is COc1ccc(OCCS(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide?
The InChIKey is RKWMSQVWAXSYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6S2/c1-22-13-4-6-14(7-5-13)23-10-11-24(18,19)17-12-2-8-15(9-3-12)25(16,20)21/h2-9,17H,10-11H2,1H3,(H2,16,20,21).
What are the key properties of 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide?
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide has a molecular weight of 386.45 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide is sourced from PubChem (CID 90518362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).