N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide

C14H21NO4S — CID 47070193

IUPACN-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C14H21NO4S/c1-2-20(16,17)15-10-12-5-7-13(8-6-12)19-11-14-4-3-9-18-14/h5-8,14-15H,2-4,9-11H2,1H3
InChIKeyOKHKZJCSELVPMC-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.68
Rot. Bonds7

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

N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide (PubChem CID 47070193) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide
PubChem CID47070193
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C14H21NO4S/c1-2-20(16,17)15-10-12-5-7-13(8-6-12)19-11-14-4-3-9-18-14/h5-8,14-15H,2-4,9-11H2,1H3
InChIKeyOKHKZJCSELVPMC-UHFFFAOYSA-N
XLogP1.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 54798939
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine
CID 54797389
N-[(4-cyanophenyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 62733317
N-[[4-(2-ethoxyethoxy)phenyl]methyl]-4-(oxolan-2-ylmethoxy)aniline
CID 54799559
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46478512
2-[methyl(propan-2-yl)amino]-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 75462382
4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 46560251
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol
CID 111469000
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-phenoxyacetamide
CID 42961546

Frequently Asked Questions

What is the IUPAC name of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide (CID 47070193) is N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide?
The InChIKey is OKHKZJCSELVPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-2-20(16,17)15-10-12-5-7-13(8-6-12)19-11-14-4-3-9-18-14/h5-8,14-15H,2-4,9-11H2,1H3.
What are the key properties of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide?
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide is sourced from PubChem (CID 47070193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).