2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide

C19H22F3NO5S — CID 30366154

IUPAC2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCOc2cccc(C(F)(F)F)c2)c(OCC)c1
InChIInChI=1S/C19H22F3NO5S/c1-3-26-16-8-9-18(17(13-16)27-4-2)29(24,25)23-10-11-28-15-7-5-6-14(12-15)19(20,21)22/h5-9,12-13,23H,3-4,10-11H2,1-2H3
InChIKeyNJAAUFGPQQATNF-UHFFFAOYSA-N
MW433.45 g/mol
LogP3.86
Rot. Bonds10

About 2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide

2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide (PubChem CID 30366154) has the molecular formula C19H22F3NO5S and a molecular weight of 433.45 g/mol. Its IUPAC name is 2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
PubChem CID30366154
Molecular FormulaC19H22F3NO5S
Molecular Weight433.45 g/mol
Exact Mass433.12
IUPAC Name2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCOc2cccc(C(F)(F)F)c2)c(OCC)c1
InChIInChI=1S/C19H22F3NO5S/c1-3-26-16-8-9-18(17(13-16)27-4-2)29(24,25)23-10-11-28-15-7-5-6-14(12-15)19(20,21)22/h5-9,12-13,23H,3-4,10-11H2,1-2H3
InChIKeyNJAAUFGPQQATNF-UHFFFAOYSA-N
XLogP3.86
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 30366267
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30366037
N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 30366264
3-fluoro-4-methoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30867180
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350028
2,4-diethoxy-N-octylbenzenesulfonamide
CID 67803858
N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide
CID 30365980
3-[(2-chlorophenyl)sulfonylamino]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 55855014
N-[2-(3,5-dimethylphenoxy)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30867149
2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide
CID 30867214
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 62597659

Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide?
The IUPAC name of 2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide (CID 30366154) is 2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCOc2cccc(C(F)(F)F)c2)c(OCC)c1.
What is the InChIKey of 2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide?
The InChIKey is NJAAUFGPQQATNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO5S/c1-3-26-16-8-9-18(17(13-16)27-4-2)29(24,25)23-10-11-28-15-7-5-6-14(12-15)19(20,21)22/h5-9,12-13,23H,3-4,10-11H2,1-2H3.
What are the key properties of 2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide?
2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide has a molecular weight of 433.45 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 30366154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).