N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide

C17H18F3NO4S — CID 30366264

IUPACN-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCCOc1ccc(OCCNS(=O)(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO4S/c1-2-24-13-7-9-14(10-8-13)25-12-11-21-26(22,23)16-6-4-3-5-15(16)17(18,19)20/h3-10,21H,2,11-12H2,1H3
InChIKeyUPIWPPVQRWGBLW-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.46
Rot. Bonds8

About N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide

N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 30366264) has the molecular formula C17H18F3NO4S and a molecular weight of 389.40 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID30366264
Molecular FormulaC17H18F3NO4S
Molecular Weight389.40 g/mol
Exact Mass389.09
IUPAC NameN-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCCOc1ccc(OCCNS(=O)(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO4S/c1-2-24-13-7-9-14(10-8-13)25-12-11-21-26(22,23)16-6-4-3-5-15(16)17(18,19)20/h3-10,21H,2,11-12H2,1H3
InChIKeyUPIWPPVQRWGBLW-UHFFFAOYSA-N
XLogP3.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.46
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

N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 30366267
2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30366154
2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid
CID 79469043
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide
CID 108573645
(2S)-N-[2-(4-fluorophenoxy)ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 37361314
N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
CID 30366250
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 90492545
N-(3-bromobutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 113271815
N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 64911010
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide (CID 30366264) is N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide is CCOc1ccc(OCCNS(=O)(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UPIWPPVQRWGBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO4S/c1-2-24-13-7-9-14(10-8-13)25-12-11-21-26(22,23)16-6-4-3-5-15(16)17(18,19)20/h3-10,21H,2,11-12H2,1H3.
What are the key properties of N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 389.40 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 30366264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).