2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline

C15H15F2NO2S — CID 43717680

IUPAC2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline
SMILESCC(Nc1cc(S(C)(=O)=O)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C15H15F2NO2S/c1-10(11-3-5-12(16)6-4-11)18-15-9-13(21(2,19)20)7-8-14(15)17/h3-10,18H,1-2H3
InChIKeyMAKPNMXHEZYKMF-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.54
Rot. Bonds4

About 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline

2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline (PubChem CID 43717680) has the molecular formula C15H15F2NO2S and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline.

Molecular Properties

Compound Name2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline
PubChem CID43717680
Molecular FormulaC15H15F2NO2S
Molecular Weight311.35 g/mol
Exact Mass311.08
IUPAC Name2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline
SMILESCC(Nc1cc(S(C)(=O)=O)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C15H15F2NO2S/c1-10(11-3-5-12(16)6-4-11)18-15-9-13(21(2,19)20)7-8-14(15)17/h3-10,18H,1-2H3
InChIKeyMAKPNMXHEZYKMF-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43194681
2-fluoro-N-(3-methylbutan-2-yl)-5-methylsulfonylaniline
CID 43717671
5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43104040
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 43088434
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-methylsulfonyl-2-nitroaniline
CID 9107653
2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline
CID 43685169
2,5-difluoro-N-(1-phenylethyl)aniline
CID 43178058
N-[1-(4-chlorophenyl)ethyl]-4-methylsulfonyl-2-nitroaniline
CID 51160194
N-[1-(4-tert-butylphenyl)ethyl]-2,5-difluoroaniline
CID 43106797
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 43381921
2-fluoro-N-heptan-2-yl-5-methylsulfonylaniline
CID 43717574
4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43226871

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline?
The IUPAC name of 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline (CID 43717680) is 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline.
What is the SMILES notation for 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline?
The canonical SMILES for 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline is CC(Nc1cc(S(C)(=O)=O)ccc1F)c1ccc(F)cc1.
What is the InChIKey of 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline?
The InChIKey is MAKPNMXHEZYKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2S/c1-10(11-3-5-12(16)6-4-11)18-15-9-13(21(2,19)20)7-8-14(15)17/h3-10,18H,1-2H3.
What are the key properties of 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline?
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline has a molecular weight of 311.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline is sourced from PubChem (CID 43717680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).