N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide

C13H20FNO4S — CID 110411117

IUPACN-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)NCCc1ccccc1F
InChIInChI=1S/C13H20FNO4S/c1-18-8-9-19-10-11-20(16,17)15-7-6-12-4-2-3-5-13(12)14/h2-5,15H,6-11H2,1H3
InChIKeyGGSVEVRNBWTWHO-UHFFFAOYSA-N
MW305.37 g/mol
LogP0.95
Rot. Bonds10

About N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide

N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide (PubChem CID 110411117) has the molecular formula C13H20FNO4S and a molecular weight of 305.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide
PubChem CID110411117
Molecular FormulaC13H20FNO4S
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)NCCc1ccccc1F
InChIInChI=1S/C13H20FNO4S/c1-18-8-9-19-10-11-20(16,17)15-7-6-12-4-2-3-5-13(12)14/h2-5,15H,6-11H2,1H3
InChIKeyGGSVEVRNBWTWHO-UHFFFAOYSA-N
XLogP0.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 50.95
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

N-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110409686
2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide
CID 107650619
4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 54952610
4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid
CID 28513594
N-(2-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylsulfonylamino]propanamide
CID 110606513
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide
CID 110630897
2-(2-methoxyethoxy)-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide
CID 110632857
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 35613709
N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51178792
2-(2-methoxyethoxy)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide
CID 110609079
1-[2-(2-fluorophenyl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111361691
1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene
CID 35310058

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide (CID 110411117) is N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide is COCCOCCS(=O)(=O)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide?
The InChIKey is GGSVEVRNBWTWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO4S/c1-18-8-9-19-10-11-20(16,17)15-7-6-12-4-2-3-5-13(12)14/h2-5,15H,6-11H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide?
N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide has a molecular weight of 305.37 g/mol, XLogP of 0.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide is sourced from PubChem (CID 110411117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).