2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide

C11H17NO4S — CID 64792935

IUPAC2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1cccc(O)c1C
InChIInChI=1S/C11H17NO4S/c1-3-16-7-8-17(14,15)12-10-5-4-6-11(13)9(10)2/h4-6,12-13H,3,7-8H2,1-2H3
InChIKeyLLMZPYCSAZMAQC-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.48
Rot. Bonds6

About 2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide

2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide (PubChem CID 64792935) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide
PubChem CID64792935
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1cccc(O)c1C
InChIInChI=1S/C11H17NO4S/c1-3-16-7-8-17(14,15)12-10-5-4-6-11(13)9(10)2/h4-6,12-13H,3,7-8H2,1-2H3
InChIKeyLLMZPYCSAZMAQC-UHFFFAOYSA-N
XLogP1.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594475
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide
CID 63246620
N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide
CID 63245490
2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide
CID 63245696
N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide
CID 55173913
2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
CID 79593105
N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide
CID 64787721
N-(5-amino-2,4-dimethylphenyl)-2-ethoxyethanesulfonamide
CID 104757246
ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate
CID 54952211
5-chloro-2-(2-ethoxyethylsulfonylamino)benzoic acid
CID 55174298
N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide
CID 55173525
N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594821

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide (CID 64792935) is 2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide is CCOCCS(=O)(=O)Nc1cccc(O)c1C.
What is the InChIKey of 2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide?
The InChIKey is LLMZPYCSAZMAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-3-16-7-8-17(14,15)12-10-5-4-6-11(13)9(10)2/h4-6,12-13H,3,7-8H2,1-2H3.
What are the key properties of 2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide?
2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide is sourced from PubChem (CID 64792935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).