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'}

Analyze 2-ethoxy-N-(4-formylphenyl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)methanesulfonamide
CID 684083
1-Butanesulfonamide, N-[4-(2-bromoacetyl)phenyl]-
CID 11142206
N-(4-benzoylphenyl)ethanesulfonamide
CID 837238
4-Methanesulfonamidobenzamide
CID 961874
1-Butanesulfonamide, N-(4-acetylphenyl)-
CID 22774797
Ethanesulfonic acid, 2-[(4-formylphenyl)methylamino]-, sodium salt (1:1)
CID 23690083
N-(2,4-Difluoro-3-formylphenyl)-1-propanesulfonamide
CID 53419003
N-(4-acetylphenyl)-1-phenylmethanesulfonamide
CID 871369
4-(Methylsulfonylamino)benzaldehyde
CID 18925355
N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]methanesulfonamide
CID 16069734
Ethyl 2-(4-Methanesulfonylamino-phenyl)-2-oxoethyl Trithiocarbonate
CID 24895188
N-(3-acetylphenyl)ethanesulfonamide
CID 902979

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).