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

C16H18FNO4S — CID 40753911

IUPACN-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
SMILESCCOc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO4S/c1-2-21-14-5-7-15(8-6-14)22-12-11-18-23(19,20)16-9-3-13(17)4-10-16/h3-10,18H,2,11-12H2,1H3
InChIKeyMYEPIEKCQAUVQV-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.58
Rot. Bonds8

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

N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 40753911) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
PubChem CID40753911
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC NameN-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
SMILESCCOc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO4S/c1-2-21-14-5-7-15(8-6-14)22-12-11-18-23(19,20)16-9-3-13(17)4-10-16/h3-10,18H,2,11-12H2,1H3
InChIKeyMYEPIEKCQAUVQV-UHFFFAOYSA-N
XLogP2.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774369
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
CID 30366250
N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
CID 110288244
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
N-[2-(4-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 30365751
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 9410697
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide
CID 46461279

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide (CID 40753911) is N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide is CCOc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is MYEPIEKCQAUVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-2-21-14-5-7-15(8-6-14)22-12-11-18-23(19,20)16-9-3-13(17)4-10-16/h3-10,18H,2,11-12H2,1H3.
What are the key properties of N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide?
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 40753911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).