N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide

C17H18F3NO4S — CID 39795004

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(OCCN(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H18F3NO4S/c1-21(10-11-25-15-8-6-14(24-2)7-9-15)26(22,23)16-5-3-4-13(12-16)17(18,19)20/h3-9,12H,10-11H2,1-2H3
InChIKeyGLRXIUFMXLBOAE-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.41
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide

N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 39795004) has the molecular formula C17H18F3NO4S and a molecular weight of 389.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID39795004
Molecular FormulaC17H18F3NO4S
Molecular Weight389.40 g/mol
Exact Mass389.09
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(OCCN(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H18F3NO4S/c1-21(10-11-25-15-8-6-14(24-2)7-9-15)26(22,23)16-5-3-4-13(12-16)17(18,19)20/h3-9,12H,10-11H2,1-2H3
InChIKeyGLRXIUFMXLBOAE-UHFFFAOYSA-N
XLogP3.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate
CID 31763548
N-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120718024
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 24616283
N-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide
CID 8800569
4-fluoro-N-[[4-[(4-methoxyphenyl)methoxy]-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide
CID 66868532
3-tert-butyl-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 59019327
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1488181
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087855
N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 55434480
N-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 123979056

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide (CID 39795004) is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide is COc1ccc(OCCN(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GLRXIUFMXLBOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO4S/c1-21(10-11-25-15-8-6-14(24-2)7-9-15)26(22,23)16-5-3-4-13(12-16)17(18,19)20/h3-9,12H,10-11H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 389.40 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 39795004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).