2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol

C11H17NO4S — CID 139892733

IUPAC2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol
SMILESCOc1ccc(S(=O)(=O)CCNCCO)cc1
InChIInChI=1S/C11H17NO4S/c1-16-10-2-4-11(5-3-10)17(14,15)9-7-12-6-8-13/h2-5,12-13H,6-9H2,1H3
InChIKeyHJIQYELOHXPDRZ-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.05
Rot. Bonds7

About 2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol

2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol (PubChem CID 139892733) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol
PubChem CID139892733
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol
SMILESCOc1ccc(S(=O)(=O)CCNCCO)cc1
InChIInChI=1S/C11H17NO4S/c1-16-10-2-4-11(5-3-10)17(14,15)9-7-12-6-8-13/h2-5,12-13H,6-9H2,1H3
InChIKeyHJIQYELOHXPDRZ-UHFFFAOYSA-N
XLogP0.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)sulfonylpropan-1-ol
CID 18411970
N-[2-(4-methoxyphenyl)sulfonylethyl]-2-phenylethanamine
CID 3050838
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide
CID 54774387
4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide
CID 54774411
1-butylsulfonyl-4-methoxybenzene
CID 12696371
1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea
CID 54774396
N-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine
CID 103603052
2-[(4-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17292349
1-(2-azidoethylsulfonyl)-4-methoxybenzene
CID 61396962
4-(4-methoxyphenyl)sulfonyl-2-methylbutan-2-amine
CID 117036317
2-(4-methoxyphenyl)sulfonyl-N-methylacetamide
CID 47218302

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol?
The IUPAC name of 2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol (CID 139892733) is 2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol?
The canonical SMILES for 2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol is COc1ccc(S(=O)(=O)CCNCCO)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol?
The InChIKey is HJIQYELOHXPDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-16-10-2-4-11(5-3-10)17(14,15)9-7-12-6-8-13/h2-5,12-13H,6-9H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol?
2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol has a molecular weight of 259.33 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol is sourced from PubChem (CID 139892733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).