2-ethoxy-N-(4-formylphenyl)ethanesulfonamide

C11H15NO4S — CID 106912887

IUPAC2-ethoxy-N-(4-formylphenyl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C11H15NO4S/c1-2-16-7-8-17(14,15)12-11-5-3-10(9-13)4-6-11/h3-6,9,12H,2,7-8H2,1H3
InChIKeyOIUFCCPYJLCHEL-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.28
Rot. Bonds7

About 2-ethoxy-N-(4-formylphenyl)ethanesulfonamide

2-ethoxy-N-(4-formylphenyl)ethanesulfonamide (PubChem CID 106912887) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-ethoxy-N-(4-formylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-(4-formylphenyl)ethanesulfonamide
PubChem CID106912887
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-ethoxy-N-(4-formylphenyl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C11H15NO4S/c1-2-16-7-8-17(14,15)12-11-5-3-10(9-13)4-6-11/h3-6,9,12H,2,7-8H2,1H3
InChIKeyOIUFCCPYJLCHEL-UHFFFAOYSA-N
XLogP1.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-formylphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 106912861
2-[4-(2-ethoxyethylsulfonylamino)phenoxy]ethanethioamide
CID 63245611
N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide
CID 64787721
N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide
CID 65431442
4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide
CID 63246113
4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide
CID 63246071
2-ethoxy-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethanesulfonamide
CID 63246299
1-(dimethylsulfamoylamino)-4-formylbenzene
CID 58614334
2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
CID 63245607
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide
CID 63246620
2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]ethanesulfonamide
CID 65436088
2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide
CID 64792935

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(4-formylphenyl)ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-(4-formylphenyl)ethanesulfonamide (CID 106912887) is 2-ethoxy-N-(4-formylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-(4-formylphenyl)ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-(4-formylphenyl)ethanesulfonamide is CCOCCS(=O)(=O)Nc1ccc(C=O)cc1.
What is the InChIKey of 2-ethoxy-N-(4-formylphenyl)ethanesulfonamide?
The InChIKey is OIUFCCPYJLCHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-2-16-7-8-17(14,15)12-11-5-3-10(9-13)4-6-11/h3-6,9,12H,2,7-8H2,1H3.
What are the key properties of 2-ethoxy-N-(4-formylphenyl)ethanesulfonamide?
2-ethoxy-N-(4-formylphenyl)ethanesulfonamide has a molecular weight of 257.31 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(4-formylphenyl)ethanesulfonamide is sourced from PubChem (CID 106912887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).