N-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine

C13H20FNO2S — CID 64639026

IUPACN-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine
SMILESCCCC(CS(=O)(=O)c1ccc(F)cc1)NCC
InChIInChI=1S/C13H20FNO2S/c1-3-5-12(15-4-2)10-18(16,17)13-8-6-11(14)7-9-13/h6-9,12,15H,3-5,10H2,1-2H3
InChIKeyCZULMZGLLZCTOU-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.38
Rot. Bonds7

About N-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine

N-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine (PubChem CID 64639026) has the molecular formula C13H20FNO2S and a molecular weight of 273.37 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine
PubChem CID64639026
Molecular FormulaC13H20FNO2S
Molecular Weight273.37 g/mol
Exact Mass273.12
IUPAC NameN-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine
SMILESCCCC(CS(=O)(=O)c1ccc(F)cc1)NCC
InChIInChI=1S/C13H20FNO2S/c1-3-5-12(15-4-2)10-18(16,17)13-8-6-11(14)7-9-13/h6-9,12,15H,3-5,10H2,1-2H3
InChIKeyCZULMZGLLZCTOU-UHFFFAOYSA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine
CID 64675422
N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine
CID 106584775
N-ethyl-1-(4-nitrophenyl)sulfonylbutan-2-amine
CID 64646106
N-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine
CID 63198265
3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol
CID 64899704
1-[2-(bromomethyl)butylsulfonyl]-4-fluorobenzene
CID 65000282
4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol
CID 64898401
N-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 43488878
1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine
CID 60996816
(2S)-3-(4-fluorophenyl)sulfonyl-2-methylpropanoic acid
CID 28753239
N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol
CID 64717111

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine (CID 64639026) is N-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine is CCCC(CS(=O)(=O)c1ccc(F)cc1)NCC.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine?
The InChIKey is CZULMZGLLZCTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2S/c1-3-5-12(15-4-2)10-18(16,17)13-8-6-11(14)7-9-13/h6-9,12,15H,3-5,10H2,1-2H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine?
N-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine has a molecular weight of 273.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine is sourced from PubChem (CID 64639026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).