N-ethyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide

C15H23NO3S — CID 71635460

IUPACN-ethyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide
SMILESCCNS(=O)(=O)C1CCOCC1Cc1ccccc1C
InChIInChI=1S/C15H23NO3S/c1-3-16-20(17,18)15-8-9-19-11-14(15)10-13-7-5-4-6-12(13)2/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyJGDGLVVFRRVSOD-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.88
Rot. Bonds5

About N-ethyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide

N-ethyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide (PubChem CID 71635460) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-ethyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide
PubChem CID71635460
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-ethyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide
SMILESCCNS(=O)(=O)C1CCOCC1Cc1ccccc1C
InChIInChI=1S/C15H23NO3S/c1-3-16-20(17,18)15-8-9-19-11-14(15)10-13-7-5-4-6-12(13)2/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyJGDGLVVFRRVSOD-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-N-methyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide
CID 97168021
(3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide
CID 97177651
(3R,4S)-3-[(2,6-dichlorophenyl)methyl]-N-ethyloxane-4-sulfonamide
CID 97177635
(3R,4R)-3-[(2,4-dichlorophenyl)methyl]-N-ethyloxane-4-sulfonamide
CID 97177666
(3S,4S)-3-[(2,5-dichlorophenyl)methyl]-N-ethyloxane-4-sulfonamide
CID 97177641
3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 71648184
(3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
CID 97175198
(3S,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide
CID 97169061
3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide
CID 71649235
(3R,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide
CID 97169060
N-ethyl-2-[(2-methylphenyl)methylsulfonyl]-1-(oxolan-3-yl)ethanamine
CID 104754198
(3R,4R)-3-[(4-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168004

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide?
The IUPAC name of N-ethyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide (CID 71635460) is N-ethyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide.
What is the SMILES notation for N-ethyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide?
The canonical SMILES for N-ethyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide is CCNS(=O)(=O)C1CCOCC1Cc1ccccc1C.
What is the InChIKey of N-ethyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide?
The InChIKey is JGDGLVVFRRVSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-16-20(17,18)15-8-9-19-11-14(15)10-13-7-5-4-6-12(13)2/h4-7,14-16H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide?
N-ethyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide is sourced from PubChem (CID 71635460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).