2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide

C12H16F3NO4S — CID 110423362

IUPAC2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO4S/c1-19-5-6-20-7-8-21(17,18)16-11-4-2-3-10(9-11)12(13,14)15/h2-4,9,16H,5-8H2,1H3
InChIKeyGSCJVYWXBGSTQY-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.11
Rot. Bonds8

About 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide

2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide (PubChem CID 110423362) has the molecular formula C12H16F3NO4S and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide
PubChem CID110423362
Molecular FormulaC12H16F3NO4S
Molecular Weight327.32 g/mol
Exact Mass327.08
IUPAC Name2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO4S/c1-19-5-6-20-7-8-21(17,18)16-11-4-2-3-10(9-11)12(13,14)15/h2-4,9,16H,5-8H2,1H3
InChIKeyGSCJVYWXBGSTQY-UHFFFAOYSA-N
XLogP2.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.11
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

methyl 4-[[3-(trifluoromethyl)phenyl]sulfamoyl]butanoate
CID 61460357
1-bromo-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 83092690
N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26500843
N-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline
CID 103178330
N-[(2R)-1-methoxypropan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26796911
N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 82714881
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide
CID 113020236
N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 33101820
2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide
CID 39373158
N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 3114001
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide
CID 113048992

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide (CID 110423362) is 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide is COCCOCCS(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide?
The InChIKey is GSCJVYWXBGSTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO4S/c1-19-5-6-20-7-8-21(17,18)16-11-4-2-3-10(9-11)12(13,14)15/h2-4,9,16H,5-8H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide?
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide has a molecular weight of 327.32 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 110423362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).