2-ethyl-3-[(4-formylphenoxy)methyl]-N-methylbenzenesulfonamide

C17H19NO4S — CID 176916239

IUPAC2-ethyl-3-[(4-formylphenoxy)methyl]-N-methylbenzenesulfonamide
SMILESCCc1c(COc2ccc(C=O)cc2)cccc1S(=O)(=O)NC
InChIInChI=1S/C17H19NO4S/c1-3-16-14(5-4-6-17(16)23(20,21)18-2)12-22-15-9-7-13(11-19)8-10-15/h4-11,18H,3,12H2,1-2H3
InChIKeyFYJCRMAQKKHTTP-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.55
Rot. Bonds7

About 2-ethyl-3-[(4-formylphenoxy)methyl]-N-methylbenzenesulfonamide

2-ethyl-3-[(4-formylphenoxy)methyl]-N-methylbenzenesulfonamide (PubChem CID 176916239) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-ethyl-3-[(4-formylphenoxy)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-3-[(4-formylphenoxy)methyl]-N-methylbenzenesulfonamide
PubChem CID176916239
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-ethyl-3-[(4-formylphenoxy)methyl]-N-methylbenzenesulfonamide
SMILESCCc1c(COc2ccc(C=O)cc2)cccc1S(=O)(=O)NC
InChIInChI=1S/C17H19NO4S/c1-3-16-14(5-4-6-17(16)23(20,21)18-2)12-22-15-9-7-13(11-19)8-10-15/h4-11,18H,3,12H2,1-2H3
InChIKeyFYJCRMAQKKHTTP-UHFFFAOYSA-N
XLogP2.55
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 4129498
4-[(2-iodophenyl)methoxy]benzaldehyde
CID 162393344
N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide
CID 23409164
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438
4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde
CID 87616141
4-formyl-N-methylbenzenesulfonamide
CID 14327177
1,2-diethyl-3-methylsulfonylbenzene
CID 19834656
2-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methylbenzenesulfonamide
CID 133319865
4-[[3-[3-(3-hydroxy-3-methylbutoxy)-2-methylphenyl]-2-methylphenyl]methoxy]benzaldehyde
CID 59544600
4-[[3-[4-(2,3-dihydroxy-2-methylpropoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]benzaldehyde
CID 59544558
phenyl 2,3-diethylbenzenesulfonate
CID 154521454
3-[(4-ethoxyphenoxy)methyl]-4-(methoxymethoxy)benzaldehyde
CID 86235417

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(4-formylphenoxy)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-ethyl-3-[(4-formylphenoxy)methyl]-N-methylbenzenesulfonamide (CID 176916239) is 2-ethyl-3-[(4-formylphenoxy)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-ethyl-3-[(4-formylphenoxy)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-ethyl-3-[(4-formylphenoxy)methyl]-N-methylbenzenesulfonamide is CCc1c(COc2ccc(C=O)cc2)cccc1S(=O)(=O)NC.
What is the InChIKey of 2-ethyl-3-[(4-formylphenoxy)methyl]-N-methylbenzenesulfonamide?
The InChIKey is FYJCRMAQKKHTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-3-16-14(5-4-6-17(16)23(20,21)18-2)12-22-15-9-7-13(11-19)8-10-15/h4-11,18H,3,12H2,1-2H3.
What are the key properties of 2-ethyl-3-[(4-formylphenoxy)methyl]-N-methylbenzenesulfonamide?
2-ethyl-3-[(4-formylphenoxy)methyl]-N-methylbenzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(4-formylphenoxy)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 176916239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).