N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine

C14H20F3NO2S — CID 106584775

IUPACN-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine
SMILESCCCC(CS(=O)(=O)c1ccccc1C(F)(F)F)NCC
InChIInChI=1S/C14H20F3NO2S/c1-3-7-11(18-4-2)10-21(19,20)13-9-6-5-8-12(13)14(15,16)17/h5-6,8-9,11,18H,3-4,7,10H2,1-2H3
InChIKeyNPBPKCMVXGZZCS-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.26
Rot. Bonds7

About N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine

N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine (PubChem CID 106584775) has the molecular formula C14H20F3NO2S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine
PubChem CID106584775
Molecular FormulaC14H20F3NO2S
Molecular Weight323.38 g/mol
Exact Mass323.12
IUPAC NameN-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine
SMILESCCCC(CS(=O)(=O)c1ccccc1C(F)(F)F)NCC
InChIInChI=1S/C14H20F3NO2S/c1-3-7-11(18-4-2)10-21(19,20)13-9-6-5-8-12(13)14(15,16)17/h5-6,8-9,11,18H,3-4,7,10H2,1-2H3
InChIKeyNPBPKCMVXGZZCS-UHFFFAOYSA-N
XLogP3.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(bromomethyl)pentylsulfonyl]-2-(trifluoromethyl)benzene
CID 106584563
1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine
CID 64674005
1-butylsulfonyl-2-(trifluoromethyl)benzene
CID 137474022
N-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine
CID 64639026
1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine
CID 64645946
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
1-(2-methoxyphenyl)sulfonyl-N-propylpentan-2-amine
CID 64675474
N-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine
CID 63198549
1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine
CID 64675422
2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide
CID 61124839
1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine
CID 106584748
1-(5-bromo-3-methylpentyl)sulfonyl-2-(trifluoromethyl)benzene
CID 106584559

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine?
The IUPAC name of N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine (CID 106584775) is N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine.
What is the SMILES notation for N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine?
The canonical SMILES for N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine is CCCC(CS(=O)(=O)c1ccccc1C(F)(F)F)NCC.
What is the InChIKey of N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine?
The InChIKey is NPBPKCMVXGZZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2S/c1-3-7-11(18-4-2)10-21(19,20)13-9-6-5-8-12(13)14(15,16)17/h5-6,8-9,11,18H,3-4,7,10H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine?
N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine has a molecular weight of 323.38 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine is sourced from PubChem (CID 106584775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).