N-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide

C12H16F3NO2S — CID 61383811

IUPACN-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2S/c1-3-8-19(17,18)16-9(2)10-4-6-11(7-5-10)12(13,14)15/h4-7,9,16H,3,8H2,1-2H3
InChIKeyPTUWNVUKVOOZPX-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.10
Rot. Bonds5

About N-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide

N-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide (PubChem CID 61383811) has the molecular formula C12H16F3NO2S and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide
PubChem CID61383811
Molecular FormulaC12H16F3NO2S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC NameN-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2S/c1-3-8-19(17,18)16-9(2)10-4-6-11(7-5-10)12(13,14)15/h4-7,9,16H,3,8H2,1-2H3
InChIKeyPTUWNVUKVOOZPX-UHFFFAOYSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 81349430
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide
CID 103716956
1-[(1R)-1-ethylsulfonylethyl]-4-(trifluoromethyl)benzene
CID 95322532
N-[1-(4-tert-butylphenyl)ethyl]-3-chloropropane-1-sulfonamide
CID 60958604
N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide
CID 26001989
N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
CID 22201177
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetonitrile
CID 86782131
N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide
CID 161129597
N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide
CID 81355389
ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoate
CID 46596027
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide
CID 95733792
N-[1-(4-bromophenyl)ethyl]-2-(propylamino)ethanesulfonamide
CID 106049594

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide (CID 61383811) is N-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NC(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide?
The InChIKey is PTUWNVUKVOOZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2S/c1-3-8-19(17,18)16-9(2)10-4-6-11(7-5-10)12(13,14)15/h4-7,9,16H,3,8H2,1-2H3.
What are the key properties of N-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide?
N-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide has a molecular weight of 295.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 61383811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).