4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline

C15H16FNO2S — CID 106512341

IUPAC4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline
SMILESCc1ccc(S(=O)(=O)CCNc2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FNO2S/c1-12-2-8-15(9-3-12)20(18,19)11-10-17-14-6-4-13(16)5-7-14/h2-9,17H,10-11H2,1H3
InChIKeyBCRLXISEMIONHB-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.02
Rot. Bonds5

About 4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline

4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline (PubChem CID 106512341) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline
PubChem CID106512341
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline
SMILESCc1ccc(S(=O)(=O)CCNc2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FNO2S/c1-12-2-8-15(9-3-12)20(18,19)11-10-17-14-6-4-13(16)5-7-14/h2-9,17H,10-11H2,1H3
InChIKeyBCRLXISEMIONHB-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-(4-methylphenyl)sulfonylethyl]aniline
CID 106512366
1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropan-1-one
CID 5225625
N-[(4-methylphenyl)methyl]-4-propylsulfonylaniline
CID 43453453
2-(4-fluoroanilino)ethanesulfonamide
CID 114384672
4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline
CID 43453369
N-butyl-4-propylsulfonylaniline
CID 43453437
5-[2-(4-fluorophenyl)sulfonylethylamino]-2-nitrobenzonitrile
CID 75523715
1-(2-tert-butylsulfonylethylsulfonyl)-4-fluorobenzene
CID 103705360
1-methyl-4-[16-(4-methylphenyl)sulfonylhexadecylsulfonyl]benzene
CID 67740861
1-methyl-4-[19-(4-methylphenyl)sulfonylnonadecylsulfonyl]benzene
CID 67740848
N-(2-chloroethyl)-4-propylsulfonylaniline
CID 65030404
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline?
The IUPAC name of 4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline (CID 106512341) is 4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline?
The canonical SMILES for 4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline is Cc1ccc(S(=O)(=O)CCNc2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline?
The InChIKey is BCRLXISEMIONHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-12-2-8-15(9-3-12)20(18,19)11-10-17-14-6-4-13(16)5-7-14/h2-9,17H,10-11H2,1H3.
What are the key properties of 4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline?
4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline has a molecular weight of 293.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline is sourced from PubChem (CID 106512341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).