2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide

C17H18F3NO3S — CID 30867214

IUPAC2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3NO3S/c18-17(19,20)15-7-4-8-16(13-15)24-11-10-21-25(22,23)12-9-14-5-2-1-3-6-14/h1-8,13,21H,9-12H2
InChIKeyBBGSOOMQEJKSKC-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.25
Rot. Bonds8

About 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide

2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide (PubChem CID 30867214) has the molecular formula C17H18F3NO3S and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide
PubChem CID30867214
Molecular FormulaC17H18F3NO3S
Molecular Weight373.40 g/mol
Exact Mass373.10
IUPAC Name2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3NO3S/c18-17(19,20)15-7-4-8-16(13-15)24-11-10-21-25(22,23)12-9-14-5-2-1-3-6-14/h1-8,13,21H,9-12H2
InChIKeyBBGSOOMQEJKSKC-UHFFFAOYSA-N
XLogP3.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;oxalic acid
CID 16614040
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 62597659
3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30366037
N-benzyl-4-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 18176646
2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide
CID 113101297
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30366154
N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
CID 110288272
3-fluoro-4-methoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30867180
2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 120589464
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
CID 113103120
N-[2-[3-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 19388046

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide?
The IUPAC name of 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide (CID 30867214) is 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide is O=S(=O)(CCc1ccccc1)NCCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide?
The InChIKey is BBGSOOMQEJKSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO3S/c18-17(19,20)15-7-4-8-16(13-15)24-11-10-21-25(22,23)12-9-14-5-2-1-3-6-14/h1-8,13,21H,9-12H2.
What are the key properties of 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide?
2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide has a molecular weight of 373.40 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide is sourced from PubChem (CID 30867214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).