N-[5-[2-[4-(ethoxyiminomethyl)phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide

C24H26N2O4S — CID 54145614

IUPACN-[5-[2-[4-(ethoxyiminomethyl)phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide
SMILESCCON=Cc1ccc(CCOc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H26N2O4S/c1-3-30-25-18-21-12-10-20(11-13-21)15-16-29-22-14-9-19(2)24(17-22)26-31(27,28)23-7-5-4-6-8-23/h4-14,17-18,26H,3,15-16H2,1-2H3
InChIKeyOEEALMPGOZYWAB-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.79
Rot. Bonds10

About N-[5-[2-[4-(ethoxyiminomethyl)phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide

N-[5-[2-[4-(ethoxyiminomethyl)phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide (PubChem CID 54145614) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[5-[2-[4-(ethoxyiminomethyl)phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[2-[4-(ethoxyiminomethyl)phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide
PubChem CID54145614
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[5-[2-[4-(ethoxyiminomethyl)phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide
SMILESCCON=Cc1ccc(CCOc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H26N2O4S/c1-3-30-25-18-21-12-10-20(11-13-21)15-16-29-22-14-9-19(2)24(17-22)26-31(27,28)23-7-5-4-6-8-23/h4-14,17-18,26H,3,15-16H2,1-2H3
InChIKeyOEEALMPGOZYWAB-UHFFFAOYSA-N
XLogP4.79
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide
CID 87903022
[3-[2-[4-(ethoxyiminomethyl)phenyl]ethoxy]-5-methoxyphenyl] 2-chlorobenzenesulfonate;hydrochloride
CID 173188714
carboxymethyl-(2-chlorophenyl)sulfonyl-[3-[2-[4-(ethoxyiminomethyl)phenyl]ethoxy]phenyl]-methylazanium
CID 54045914
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide
CID 55705690
N-(2-amino-4-ethoxyphenyl)benzenesulfonamide
CID 91687393
2-chloro-3-[3-[2-[4-(ethoxyiminomethyl)phenyl]ethoxy]-5-ethylphenyl]benzenesulfonic acid
CID 90711762
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
3-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]propanoic acid
CID 9234680
3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 43907189
(NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide
CID 110518664
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 87903048

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[4-(ethoxyiminomethyl)phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide?
The IUPAC name of N-[5-[2-[4-(ethoxyiminomethyl)phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide (CID 54145614) is N-[5-[2-[4-(ethoxyiminomethyl)phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide.
What is the SMILES notation for N-[5-[2-[4-(ethoxyiminomethyl)phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide?
The canonical SMILES for N-[5-[2-[4-(ethoxyiminomethyl)phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide is CCON=Cc1ccc(CCOc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-[5-[2-[4-(ethoxyiminomethyl)phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide?
The InChIKey is OEEALMPGOZYWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-3-30-25-18-21-12-10-20(11-13-21)15-16-29-22-14-9-19(2)24(17-22)26-31(27,28)23-7-5-4-6-8-23/h4-14,17-18,26H,3,15-16H2,1-2H3.
What are the key properties of N-[5-[2-[4-(ethoxyiminomethyl)phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide?
N-[5-[2-[4-(ethoxyiminomethyl)phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide has a molecular weight of 438.55 g/mol, XLogP of 4.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[4-(ethoxyiminomethyl)phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 54145614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).