N-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide

C23H22F3NO3S — CID 123979056

IUPACN-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(c1cccc(OCCc2ccccc2)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H22F3NO3S/c1-2-27(31(28,29)22-13-6-10-19(16-22)23(24,25)26)20-11-7-12-21(17-20)30-15-14-18-8-4-3-5-9-18/h3-13,16-17H,2,14-15H2,1H3
InChIKeyQDOXFBMABLYUGI-UHFFFAOYSA-N
MW449.49 g/mol
LogP5.54
Rot. Bonds8

About N-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide

N-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 123979056) has the molecular formula C23H22F3NO3S and a molecular weight of 449.49 g/mol. Its IUPAC name is N-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID123979056
Molecular FormulaC23H22F3NO3S
Molecular Weight449.49 g/mol
Exact Mass449.13
IUPAC NameN-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(c1cccc(OCCc2ccccc2)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H22F3NO3S/c1-2-27(31(28,29)22-13-6-10-19(16-22)23(24,25)26)20-11-7-12-21(17-20)30-15-14-18-8-4-3-5-9-18/h3-13,16-17H,2,14-15H2,1H3
InChIKeyQDOXFBMABLYUGI-UHFFFAOYSA-N
XLogP5.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.49
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(2-chloro-6-fluorophenyl)ethoxy]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 123304968
N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 123900424
N-[3-(cyclohexyloxymethyl)phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 123764339
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
N-[3-[1-(2-chlorophenoxy)ethyl]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 130192949
2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide
CID 30867214
N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3835730
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 2993848
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 2993847
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 39795004
3-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 32933570
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 123979056) is N-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide is CCN(c1cccc(OCCc2ccccc2)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QDOXFBMABLYUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3NO3S/c1-2-27(31(28,29)22-13-6-10-19(16-22)23(24,25)26)20-11-7-12-21(17-20)30-15-14-18-8-4-3-5-9-18/h3-13,16-17H,2,14-15H2,1H3.
What are the key properties of N-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 449.49 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 123979056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).