5-fluoro-2-methylsulfonyl-N-(1-phenylethyl)aniline

C15H16FNO2S — CID 58707268

IUPAC5-fluoro-2-methylsulfonyl-N-(1-phenylethyl)aniline
SMILESCC(Nc1cc(F)ccc1S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C15H16FNO2S/c1-11(12-6-4-3-5-7-12)17-14-10-13(16)8-9-15(14)20(2,18)19/h3-11,17H,1-2H3
InChIKeyZETBIZXUZHHCNW-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.40
Rot. Bonds4

About 5-fluoro-2-methylsulfonyl-N-(1-phenylethyl)aniline

5-fluoro-2-methylsulfonyl-N-(1-phenylethyl)aniline (PubChem CID 58707268) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 5-fluoro-2-methylsulfonyl-N-(1-phenylethyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-methylsulfonyl-N-(1-phenylethyl)aniline
PubChem CID58707268
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name5-fluoro-2-methylsulfonyl-N-(1-phenylethyl)aniline
SMILESCC(Nc1cc(F)ccc1S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C15H16FNO2S/c1-11(12-6-4-3-5-7-12)17-14-10-13(16)8-9-15(14)20(2,18)19/h3-11,17H,1-2H3
InChIKeyZETBIZXUZHHCNW-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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylsulfonyl-N-(1-phenylethyl)aniline?
The IUPAC name of 5-fluoro-2-methylsulfonyl-N-(1-phenylethyl)aniline (CID 58707268) is 5-fluoro-2-methylsulfonyl-N-(1-phenylethyl)aniline.
What is the SMILES notation for 5-fluoro-2-methylsulfonyl-N-(1-phenylethyl)aniline?
The canonical SMILES for 5-fluoro-2-methylsulfonyl-N-(1-phenylethyl)aniline is CC(Nc1cc(F)ccc1S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 5-fluoro-2-methylsulfonyl-N-(1-phenylethyl)aniline?
The InChIKey is ZETBIZXUZHHCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-11(12-6-4-3-5-7-12)17-14-10-13(16)8-9-15(14)20(2,18)19/h3-11,17H,1-2H3.
What are the key properties of 5-fluoro-2-methylsulfonyl-N-(1-phenylethyl)aniline?
5-fluoro-2-methylsulfonyl-N-(1-phenylethyl)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 5-fluoro-2-methylsulfonyl-N-(1-phenylethyl)aniline is sourced from PubChem (CID 58707268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).