4-(fluoromethylsulfonyl)-N-(1-phenylethyl)aniline

C15H16FNO2S — CID 140506872

IUPAC4-(fluoromethylsulfonyl)-N-(1-phenylethyl)aniline
SMILESCC(Nc1ccc(S(=O)(=O)CF)cc1)c1ccccc1
InChIInChI=1S/C15H16FNO2S/c1-12(13-5-3-2-4-6-13)17-14-7-9-15(10-8-14)20(18,19)11-16/h2-10,12,17H,11H2,1H3
InChIKeySKYHRUKDJLCQTI-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.56
Rot. Bonds5

About 4-(fluoromethylsulfonyl)-N-(1-phenylethyl)aniline

4-(fluoromethylsulfonyl)-N-(1-phenylethyl)aniline (PubChem CID 140506872) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-(fluoromethylsulfonyl)-N-(1-phenylethyl)aniline.

Molecular Properties

Compound Name4-(fluoromethylsulfonyl)-N-(1-phenylethyl)aniline
PubChem CID140506872
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name4-(fluoromethylsulfonyl)-N-(1-phenylethyl)aniline
SMILESCC(Nc1ccc(S(=O)(=O)CF)cc1)c1ccccc1
InChIInChI=1S/C15H16FNO2S/c1-12(13-5-3-2-4-6-13)17-14-7-9-15(10-8-14)20(18,19)11-16/h2-10,12,17H,11H2,1H3
InChIKeySKYHRUKDJLCQTI-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethylsulfonyl)-N-(1-phenylethyl)aniline?
The IUPAC name of 4-(fluoromethylsulfonyl)-N-(1-phenylethyl)aniline (CID 140506872) is 4-(fluoromethylsulfonyl)-N-(1-phenylethyl)aniline.
What is the SMILES notation for 4-(fluoromethylsulfonyl)-N-(1-phenylethyl)aniline?
The canonical SMILES for 4-(fluoromethylsulfonyl)-N-(1-phenylethyl)aniline is CC(Nc1ccc(S(=O)(=O)CF)cc1)c1ccccc1.
What is the InChIKey of 4-(fluoromethylsulfonyl)-N-(1-phenylethyl)aniline?
The InChIKey is SKYHRUKDJLCQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-12(13-5-3-2-4-6-13)17-14-7-9-15(10-8-14)20(18,19)11-16/h2-10,12,17H,11H2,1H3.
What are the key properties of 4-(fluoromethylsulfonyl)-N-(1-phenylethyl)aniline?
4-(fluoromethylsulfonyl)-N-(1-phenylethyl)aniline has a molecular weight of 293.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethylsulfonyl)-N-(1-phenylethyl)aniline is sourced from PubChem (CID 140506872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).