N-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide

C12H19NO4S — CID 47372245

IUPACN-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc(OCCOC)cc1
InChIInChI=1S/C12H19NO4S/c1-3-18(14,15)13-10-11-4-6-12(7-5-11)17-9-8-16-2/h4-7,13H,3,8-10H2,1-2H3
InChIKeyKTOPTYOVMAJKNE-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.15
Rot. Bonds8

About N-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide

N-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide (PubChem CID 47372245) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide
PubChem CID47372245
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc(OCCOC)cc1
InChIInChI=1S/C12H19NO4S/c1-3-18(14,15)13-10-11-4-6-12(7-5-11)17-9-8-16-2/h4-7,13H,3,8-10H2,1-2H3
InChIKeyKTOPTYOVMAJKNE-UHFFFAOYSA-N
XLogP1.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.15
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-[(4-butoxyphenyl)methyl]ethanesulfonamide
CID 110781180
N-[[4-(2-methylpropoxy)phenyl]methyl]ethanesulfonamide
CID 47372852
N-[(4-butoxyphenyl)methyl]methanesulfonamide
CID 22246920
N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518723
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyloxolane-3-sulfonamide
CID 75524537
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 46595747
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid
CID 170306694
4-(2-methoxyethoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 43734131
2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide
CID 90518392
N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797438
N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide
CID 47371785
N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide
CID 47108527

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide (CID 47372245) is N-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1ccc(OCCOC)cc1.
What is the InChIKey of N-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide?
The InChIKey is KTOPTYOVMAJKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-3-18(14,15)13-10-11-4-6-12(7-5-11)17-9-8-16-2/h4-7,13H,3,8-10H2,1-2H3.
What are the key properties of N-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide?
N-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide is sourced from PubChem (CID 47372245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).