4-fluoro-N-(4-methylsulfonylphenyl)aniline

C13H12FNO2S — CID 46937407

IUPAC4-fluoro-N-(4-methylsulfonylphenyl)aniline
SMILESCS(=O)(=O)c1ccc(Nc2ccc(F)cc2)cc1
InChIInChI=1S/C13H12FNO2S/c1-18(16,17)13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11/h2-9,15H,1H3
InChIKeyQTRCGPBYCSHGJM-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.97
Rot. Bonds3

About 4-fluoro-N-(4-methylsulfonylphenyl)aniline

4-fluoro-N-(4-methylsulfonylphenyl)aniline (PubChem CID 46937407) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-fluoro-N-(4-methylsulfonylphenyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(4-methylsulfonylphenyl)aniline
PubChem CID46937407
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name4-fluoro-N-(4-methylsulfonylphenyl)aniline
SMILESCS(=O)(=O)c1ccc(Nc2ccc(F)cc2)cc1
InChIInChI=1S/C13H12FNO2S/c1-18(16,17)13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11/h2-9,15H,1H3
InChIKeyQTRCGPBYCSHGJM-UHFFFAOYSA-N
XLogP2.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-methylsulfonylphenyl)aniline?
The IUPAC name of 4-fluoro-N-(4-methylsulfonylphenyl)aniline (CID 46937407) is 4-fluoro-N-(4-methylsulfonylphenyl)aniline.
What is the SMILES notation for 4-fluoro-N-(4-methylsulfonylphenyl)aniline?
The canonical SMILES for 4-fluoro-N-(4-methylsulfonylphenyl)aniline is CS(=O)(=O)c1ccc(Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-(4-methylsulfonylphenyl)aniline?
The InChIKey is QTRCGPBYCSHGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-18(16,17)13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11/h2-9,15H,1H3.
What are the key properties of 4-fluoro-N-(4-methylsulfonylphenyl)aniline?
4-fluoro-N-(4-methylsulfonylphenyl)aniline has a molecular weight of 265.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-methylsulfonylphenyl)aniline is sourced from PubChem (CID 46937407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).