N-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline

C15H16FNO2S — CID 43232220

IUPACN-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline
SMILESCC(Nc1ccccc1S(C)(=O)=O)c1ccccc1F
InChIInChI=1S/C15H16FNO2S/c1-11(12-7-3-4-8-13(12)16)17-14-9-5-6-10-15(14)20(2,18)19/h3-11,17H,1-2H3
InChIKeyOIPWQWYIXPKQTL-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.40
Rot. Bonds4

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

N-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline (PubChem CID 43232220) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline
PubChem CID43232220
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline
SMILESCC(Nc1ccccc1S(C)(=O)=O)c1ccccc1F
InChIInChI=1S/C15H16FNO2S/c1-11(12-7-3-4-8-13(12)16)17-14-9-5-6-10-15(14)20(2,18)19/h3-11,17H,1-2H3
InChIKeyOIPWQWYIXPKQTL-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

N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline
CID 43233045
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
2-methylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630343
2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43192515
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 62057730
2-(2-methylsulfonylanilino)propanamide
CID 43402598
2,4,5-trichloro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43108233
2-amino-3-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 115545326
2-bromo-6-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 114887955
5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 107591660
2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43738209
2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 79834697

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline (CID 43232220) is N-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline is CC(Nc1ccccc1S(C)(=O)=O)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline?
The InChIKey is OIPWQWYIXPKQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-11(12-7-3-4-8-13(12)16)17-14-9-5-6-10-15(14)20(2,18)19/h3-11,17H,1-2H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline?
N-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline 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 N-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline is sourced from PubChem (CID 43232220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).