4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline

C15H16FNO2S — CID 43194681

IUPAC4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
SMILESCC(Nc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H16FNO2S/c1-11(17-14-7-5-13(16)6-8-14)12-3-9-15(10-4-12)20(2,18)19/h3-11,17H,1-2H3
InChIKeyRCYRGLIUTFOJNK-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.40
Rot. Bonds4

About 4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline

4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline (PubChem CID 43194681) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
PubChem CID43194681
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
SMILESCC(Nc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H16FNO2S/c1-11(17-14-7-5-13(16)6-8-14)12-3-9-15(10-4-12)20(2,18)19/h3-11,17H,1-2H3
InChIKeyRCYRGLIUTFOJNK-UHFFFAOYSA-N
XLogP3.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-iodo-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43124343
(1S,2R)-1-(4-fluorophenyl)-2-(4-methylsulfonylanilino)propan-1-ol
CID 99857846
3-fluoro-4-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43093299
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylsulfonylaniline
CID 43717680
5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43104040
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline
CID 30226768
N-[1-(4-fluorophenyl)ethyl]-4-iodoaniline
CID 43088233
(4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 24689230
4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine
CID 133370788
N-[1-(3-methylphenyl)ethyl]-4-methylsulfonylaniline
CID 43761436
N-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline
CID 102867799

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline?
The IUPAC name of 4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline (CID 43194681) is 4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline?
The canonical SMILES for 4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline is CC(Nc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline?
The InChIKey is RCYRGLIUTFOJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-11(17-14-7-5-13(16)6-8-14)12-3-9-15(10-4-12)20(2,18)19/h3-11,17H,1-2H3.
What are the key properties of 4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline?
4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline has a molecular weight of 293.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline is sourced from PubChem (CID 43194681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).