N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide

C22H23NO5S — CID 30366250

IUPACN-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
SMILESCCOc1ccc(OCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H23NO5S/c1-2-26-18-8-10-19(11-9-18)27-17-16-23-29(24,25)22-14-12-21(13-15-22)28-20-6-4-3-5-7-20/h3-15,23H,2,16-17H2,1H3
InChIKeyGQIBXTIQUSQGMH-UHFFFAOYSA-N
MW413.50 g/mol
LogP4.23
Rot. Bonds10

About N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide

N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide (PubChem CID 30366250) has the molecular formula C22H23NO5S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
PubChem CID30366250
Molecular FormulaC22H23NO5S
Molecular Weight413.50 g/mol
Exact Mass413.13
IUPAC NameN-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
SMILESCCOc1ccc(OCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H23NO5S/c1-2-26-18-8-10-19(11-9-18)27-17-16-23-29(24,25)22-14-12-21(13-15-22)28-20-6-4-3-5-7-20/h3-15,23H,2,16-17H2,1H3
InChIKeyGQIBXTIQUSQGMH-UHFFFAOYSA-N
XLogP4.23
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 3858812
N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide
CID 7938232
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
ethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 17383331
4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide
CID 9157994
4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51169949
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide (CID 30366250) is N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide is CCOc1ccc(OCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide?
The InChIKey is GQIBXTIQUSQGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5S/c1-2-26-18-8-10-19(11-9-18)27-17-16-23-29(24,25)22-14-12-21(13-15-22)28-20-6-4-3-5-7-20/h3-15,23H,2,16-17H2,1H3.
What are the key properties of N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide?
N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide has a molecular weight of 413.50 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 30366250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).