N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide

C17H21NO3S — CID 90518723

IUPACN-benzyl-2-(4-ethylphenoxy)ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-2-15-8-10-17(11-9-15)21-12-13-22(19,20)18-14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3
InChIKeyRLAKAUAIXLKLQM-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.75
Rot. Bonds8

About N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide

N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide (PubChem CID 90518723) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-(4-ethylphenoxy)ethanesulfonamide
PubChem CID90518723
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-benzyl-2-(4-ethylphenoxy)ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-2-15-8-10-17(11-9-15)21-12-13-22(19,20)18-14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3
InChIKeyRLAKAUAIXLKLQM-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-phenoxyethanesulfonamide
CID 11140850
N-[(4-butoxyphenyl)methyl]ethanesulfonamide
CID 110781180
2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide
CID 90518830
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518814
2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide
CID 90518392
N-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide
CID 47372245
2-(4-ethylphenoxy)-N-methyl-N-phenylethanesulfonamide
CID 90518837
N-[(4-ethylphenyl)methyl]-4-(methylamino)butane-1-sulfonamide
CID 106088943
1-[2-(benzylsulfamoyl)ethyl]-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111005294
N-benzylpentadecane-1-sulfonamide
CID 14025944
N-[(4-butoxyphenyl)methyl]methanesulfonamide
CID 22246920
2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518395

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide?
The IUPAC name of N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide (CID 90518723) is N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide.
What is the SMILES notation for N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide?
The canonical SMILES for N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide is CCc1ccc(OCCS(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide?
The InChIKey is RLAKAUAIXLKLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-2-15-8-10-17(11-9-15)21-12-13-22(19,20)18-14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3.
What are the key properties of N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide?
N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide is sourced from PubChem (CID 90518723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).