4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline

C15H16FNO2S — CID 43453369

IUPAC4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline
SMILESCCS(=O)(=O)c1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FNO2S/c1-2-20(18,19)15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h3-10,17H,2,11H2,1H3
InChIKeyHDKBZOFCZSWLKO-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.23
Rot. Bonds5

About 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline

4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline (PubChem CID 43453369) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline
PubChem CID43453369
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline
SMILESCCS(=O)(=O)c1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FNO2S/c1-2-20(18,19)15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h3-10,17H,2,11H2,1H3
InChIKeyHDKBZOFCZSWLKO-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide
CID 60932275
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
4-[(4-ethylsulfonylanilino)methyl]-2-fluorophenol
CID 107685446
N-[(4-bromo-3-fluorophenyl)methyl]-4-ethylsulfonylaniline
CID 79671646
1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
CID 110170599
5-[(4-ethylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 100675654
N-[(4-methylphenyl)methyl]-4-propylsulfonylaniline
CID 43453453
N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline
CID 83961111
4-[(4-propylsulfonylanilino)methyl]aniline
CID 60874910
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982509
3-[(4-ethylsulfonylanilino)methyl]phenol
CID 43689674
N-[[3-(aminomethyl)phenyl]methyl]-4-ethylsulfonylaniline
CID 60871436

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline?
The IUPAC name of 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline (CID 43453369) is 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline.
What is the SMILES notation for 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline?
The canonical SMILES for 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline is CCS(=O)(=O)c1ccc(NCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline?
The InChIKey is HDKBZOFCZSWLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-2-20(18,19)15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h3-10,17H,2,11H2,1H3.
What are the key properties of 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline?
4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline has a molecular weight of 293.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline is sourced from PubChem (CID 43453369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).