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

C17H21NO5S — CID 40753909

IUPACN-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(OCCNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21NO5S/c1-3-22-15-4-6-16(7-5-15)23-13-12-18-24(19,20)17-10-8-14(21-2)9-11-17/h4-11,18H,3,12-13H2,1-2H3
InChIKeyDWUVFGSIVXDJBX-UHFFFAOYSA-N
MW351.42 g/mol
LogP2.45
Rot. Bonds9

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

N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 40753909) has the molecular formula C17H21NO5S and a molecular weight of 351.42 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
PubChem CID40753909
Molecular FormulaC17H21NO5S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC NameN-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(OCCNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21NO5S/c1-3-22-15-4-6-16(7-5-15)23-13-12-18-24(19,20)17-10-8-14(21-2)9-11-17/h4-11,18H,3,12-13H2,1-2H3
InChIKeyDWUVFGSIVXDJBX-UHFFFAOYSA-N
XLogP2.45
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.45
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-fluorobenzenesulfonamide
CID 40753911
N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
CID 30366250
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide
CID 41246477
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 5018847
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113099676
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
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide (CID 40753909) is N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide is CCOc1ccc(OCCNS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is DWUVFGSIVXDJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5S/c1-3-22-15-4-6-16(7-5-15)23-13-12-18-24(19,20)17-10-8-14(21-2)9-11-17/h4-11,18H,3,12-13H2,1-2H3.
What are the key properties of N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide?
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 351.42 g/mol, XLogP of 2.45, 9 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-methoxybenzenesulfonamide is sourced from PubChem (CID 40753909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).