N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide

C13H19F3N2O2S — CID 103716956

IUPACN-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H19F3N2O2S/c1-3-18-21(19,20)9-8-17-10(2)11-4-6-12(7-5-11)13(14,15)16/h4-7,10,17-18H,3,8-9H2,1-2H3
InChIKeyVVORADNNBRUCPF-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.30
Rot. Bonds7

About N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide

N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide (PubChem CID 103716956) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide
PubChem CID103716956
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC NameN-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H19F3N2O2S/c1-3-18-21(19,20)9-8-17-10(2)11-4-6-12(7-5-11)13(14,15)16/h4-7,10,17-18H,3,8-9H2,1-2H3
InChIKeyVVORADNNBRUCPF-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide
CID 106338529
2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide
CID 103901958
N-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide
CID 61383811
1-[(1R)-1-ethylsulfonylethyl]-4-(trifluoromethyl)benzene
CID 95322532
N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide
CID 102676134
N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 68662627
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-ethylethanesulfonamide
CID 103901899
N-methyl-2-(1-pyridin-4-ylethylamino)ethanesulfonamide
CID 102676244
2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43103125
3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 43196227
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 43566828
N-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide
CID 106334344

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide (CID 103716956) is N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide is CCNS(=O)(=O)CCNC(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide?
The InChIKey is VVORADNNBRUCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2S/c1-3-18-21(19,20)9-8-17-10(2)11-4-6-12(7-5-11)13(14,15)16/h4-7,10,17-18H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide?
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide has a molecular weight of 324.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide is sourced from PubChem (CID 103716956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).