N-[(2,4-difluorophenyl)methyl]-N-(2-methylsulfonylethyl)aniline

C16H17F2NO2S — CID 141088267

IUPACN-[(2,4-difluorophenyl)methyl]-N-(2-methylsulfonylethyl)aniline
SMILESCS(=O)(=O)CCN(Cc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C16H17F2NO2S/c1-22(20,21)10-9-19(15-5-3-2-4-6-15)12-13-7-8-14(17)11-16(13)18/h2-8,11H,9-10,12H2,1H3
InChIKeyQFBILSNCUPFUIA-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.02
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-N-(2-methylsulfonylethyl)aniline

N-[(2,4-difluorophenyl)methyl]-N-(2-methylsulfonylethyl)aniline (PubChem CID 141088267) has the molecular formula C16H17F2NO2S and a molecular weight of 325.38 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-(2-methylsulfonylethyl)aniline.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-(2-methylsulfonylethyl)aniline
PubChem CID141088267
Molecular FormulaC16H17F2NO2S
Molecular Weight325.38 g/mol
Exact Mass325.09
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-(2-methylsulfonylethyl)aniline
SMILESCS(=O)(=O)CCN(Cc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C16H17F2NO2S/c1-22(20,21)10-9-19(15-5-3-2-4-6-15)12-13-7-8-14(17)11-16(13)18/h2-8,11H,9-10,12H2,1H3
InChIKeyQFBILSNCUPFUIA-UHFFFAOYSA-N
XLogP3.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-N-[(2,4-difluorophenyl)methyl]-N-methylethanamine
CID 134001645
4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine
CID 63234183
N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 46022862
3-[N-[(5-fluoro-2-methylphenyl)methyl]anilino]propanoic acid
CID 105372393
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline
CID 64763898
2-[(N-ethylanilino)methyl]-4-fluorophenol
CID 102978616
N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide
CID 46022863
N-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 46022344
4-[(2-chlorophenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide
CID 22036168
3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid
CID 60950172
1-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylmethanesulfonamide
CID 83084049
1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfonylethyl)ethanamine
CID 86866890

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-(2-methylsulfonylethyl)aniline?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-(2-methylsulfonylethyl)aniline (CID 141088267) is N-[(2,4-difluorophenyl)methyl]-N-(2-methylsulfonylethyl)aniline.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-(2-methylsulfonylethyl)aniline?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-(2-methylsulfonylethyl)aniline is CS(=O)(=O)CCN(Cc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-(2-methylsulfonylethyl)aniline?
The InChIKey is QFBILSNCUPFUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2S/c1-22(20,21)10-9-19(15-5-3-2-4-6-15)12-13-7-8-14(17)11-16(13)18/h2-8,11H,9-10,12H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-(2-methylsulfonylethyl)aniline?
N-[(2,4-difluorophenyl)methyl]-N-(2-methylsulfonylethyl)aniline has a molecular weight of 325.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-(2-methylsulfonylethyl)aniline is sourced from PubChem (CID 141088267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).