N-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide

C13H19F3N2O2S — CID 106334344

IUPACN-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H19F3N2O2S/c1-2-18-21(19,20)9-8-17-12(10-13(14,15)16)11-6-4-3-5-7-11/h3-7,12,17-18H,2,8-10H2,1H3
InChIKeyCMHLIDGEXKMVLZ-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.21
Rot. Bonds8

About N-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide

N-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide (PubChem CID 106334344) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide
PubChem CID106334344
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC NameN-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H19F3N2O2S/c1-2-18-21(19,20)9-8-17-12(10-13(14,15)16)11-6-4-3-5-7-11/h3-7,12,17-18H,2,8-10H2,1H3
InChIKeyCMHLIDGEXKMVLZ-UHFFFAOYSA-N
XLogP2.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide
CID 103901960
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide
CID 103716956
3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine
CID 43755356
4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol
CID 107151412
2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine
CID 75443631
N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 63448133
3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine
CID 43625498
3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine
CID 103913358
N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine
CID 107234098
3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
CID 43755979
N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine
CID 43488899

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide (CID 106334344) is N-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide is CCNS(=O)(=O)CCNC(CC(F)(F)F)c1ccccc1.
What is the InChIKey of N-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide?
The InChIKey is CMHLIDGEXKMVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2S/c1-2-18-21(19,20)9-8-17-12(10-13(14,15)16)11-6-4-3-5-7-11/h3-7,12,17-18H,2,8-10H2,1H3.
What are the key properties of N-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide?
N-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide has a molecular weight of 324.37 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide is sourced from PubChem (CID 106334344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).