N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propane-1-sulfonamide

C13H18F3NO4S — CID 2554278

IUPACN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1OCCOC
InChIInChI=1S/C13H18F3NO4S/c1-3-8-22(18,19)17-11-9-10(13(14,15)16)4-5-12(11)21-7-6-20-2/h4-5,9,17H,3,6-8H2,1-2H3
InChIKeyXGZOETPBZYVAMS-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.88
Rot. Bonds8

About N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propane-1-sulfonamide

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propane-1-sulfonamide (PubChem CID 2554278) has the molecular formula C13H18F3NO4S and a molecular weight of 341.35 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propane-1-sulfonamide
PubChem CID2554278
Molecular FormulaC13H18F3NO4S
Molecular Weight341.35 g/mol
Exact Mass341.09
IUPAC NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1OCCOC
InChIInChI=1S/C13H18F3NO4S/c1-3-8-22(18,19)17-11-9-10(13(14,15)16)4-5-12(11)21-7-6-20-2/h4-5,9,17H,3,6-8H2,1-2H3
InChIKeyXGZOETPBZYVAMS-UHFFFAOYSA-N
XLogP2.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.88
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

2-(2-Methoxyethoxy)-5-(trifluoromethyl)aniline
CID 2392234
2-(Tetrahydro-furan-2-ylmethoxy)-5-trifluoromethyl-phenylamine
CID 2917510
2-Methoxy-5-(trifluoromethyl)aniline
CID 600637
Ethenesulfonamide, 2-phenyl-N-(2-methoxyphenyl)-
CID 786405
2-(4-Ethoxyphenoxy)-5-(trifluoromethyl)aniline
CID 2392341
2-(2-Methoxyphenoxy)-5-(trifluoromethyl)aniline
CID 2735928
2-methoxy-5-[[(E)-2-(2,4,6-trifluorophenyl)ethenyl]sulfonylmethyl]aniline
CID 54576581
2-(Benzyloxy)-5-(trifluoromethyl)aniline
CID 685186
2-Isopropoxy-5-trifluoromethyl-phenylamine
CID 2894792
2-Propoxy-5-(trifluoromethyl)benzenamine
CID 2125302
5-Methyl-2-(2,2,2-trifluoroethoxy)aniline
CID 16227967
6-(P-Tolyloxy)-alpha,alpha,alpha-trifluoro-M-toluidine
CID 4189535

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propane-1-sulfonamide (CID 2554278) is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1OCCOC.
What is the InChIKey of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The InChIKey is XGZOETPBZYVAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO4S/c1-3-8-22(18,19)17-11-9-10(13(14,15)16)4-5-12(11)21-7-6-20-2/h4-5,9,17H,3,6-8H2,1-2H3.
What are the key properties of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propane-1-sulfonamide?
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propane-1-sulfonamide has a molecular weight of 341.35 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 2554278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).