4-methylsulfonyl-N-(2-phenylethyl)aniline

C15H17NO2S — CID 4654221

IUPAC4-methylsulfonyl-N-(2-phenylethyl)aniline
SMILESCS(=O)(=O)c1ccc(NCCc2ccccc2)cc1
InChIInChI=1S/C15H17NO2S/c1-19(17,18)15-9-7-14(8-10-15)16-12-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3
InChIKeyQGZKDGODRSFMOP-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.74
Rot. Bonds5

About 4-methylsulfonyl-N-(2-phenylethyl)aniline

4-methylsulfonyl-N-(2-phenylethyl)aniline (PubChem CID 4654221) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-methylsulfonyl-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name4-methylsulfonyl-N-(2-phenylethyl)aniline
PubChem CID4654221
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name4-methylsulfonyl-N-(2-phenylethyl)aniline
SMILESCS(=O)(=O)c1ccc(NCCc2ccccc2)cc1
InChIInChI=1S/C15H17NO2S/c1-19(17,18)15-9-7-14(8-10-15)16-12-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3
InChIKeyQGZKDGODRSFMOP-UHFFFAOYSA-N
XLogP2.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfonyl-N-(2-thiophen-3-ylethyl)aniline
CID 54954134
ethane;N-(2-phenylethyl)aniline
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1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
4-ethylsulfonyl-N-(3-phenylpropyl)aniline
CID 43689628
2-methylsulfonyl-N-(2-phenylethyl)aniline
CID 43388007
4-(methoxymethyl)-N-(2-phenylethyl)aniline
CID 83961080
N-(3,3-dimethylbutyl)-4-methylsulfonylaniline
CID 60911880
N-methyl-N'-(4-methylsulfonylphenyl)butane-1,4-diamine
CID 115201713
2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine
CID 96676880
N-(3-methylsulfinylpropyl)-4-methylsulfonylaniline
CID 113412235
2-(3-anilinopropyl)-1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
CID 111614731
4-methylsulfonyl-N-nonylaniline
CID 43129285

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-(2-phenylethyl)aniline?
The IUPAC name of 4-methylsulfonyl-N-(2-phenylethyl)aniline (CID 4654221) is 4-methylsulfonyl-N-(2-phenylethyl)aniline.
What is the SMILES notation for 4-methylsulfonyl-N-(2-phenylethyl)aniline?
The canonical SMILES for 4-methylsulfonyl-N-(2-phenylethyl)aniline is CS(=O)(=O)c1ccc(NCCc2ccccc2)cc1.
What is the InChIKey of 4-methylsulfonyl-N-(2-phenylethyl)aniline?
The InChIKey is QGZKDGODRSFMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-19(17,18)15-9-7-14(8-10-15)16-12-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3.
What are the key properties of 4-methylsulfonyl-N-(2-phenylethyl)aniline?
4-methylsulfonyl-N-(2-phenylethyl)aniline has a molecular weight of 275.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-(2-phenylethyl)aniline is sourced from PubChem (CID 4654221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).