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

C15H17NO2S — CID 43388007

IUPAC2-methylsulfonyl-N-(2-phenylethyl)aniline
SMILESCS(=O)(=O)c1ccccc1NCCc1ccccc1
InChIInChI=1S/C15H17NO2S/c1-19(17,18)15-10-6-5-9-14(15)16-12-11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3
InChIKeyVOAHNNLZKGDPBQ-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.74
Rot. Bonds5

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

2-methylsulfonyl-N-(2-phenylethyl)aniline (PubChem CID 43388007) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name2-methylsulfonyl-N-(2-phenylethyl)aniline
PubChem CID43388007
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-methylsulfonyl-N-(2-phenylethyl)aniline
SMILESCS(=O)(=O)c1ccccc1NCCc1ccccc1
InChIInChI=1S/C15H17NO2S/c1-19(17,18)15-10-6-5-9-14(15)16-12-11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3
InChIKeyVOAHNNLZKGDPBQ-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-[2-(2-methylsulfonylanilino)ethyl]phenol
CID 61237844
N'-(2-methylsulfonylphenyl)propane-1,3-diamine
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4-methylsulfonyl-N-(2-phenylethyl)aniline
CID 4654221
N'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine
CID 80505453
N-[2-(cyclohepten-1-yl)ethyl]-2-methylsulfonylaniline
CID 133477083
2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 43454307
N-(2-methylpropyl)-2-methylsulfonylaniline
CID 43388031
2-(2-methylsulfonylanilino)acetaldehyde
CID 21244567
3-bromo-2-methyl-N-(2-phenylethyl)aniline
CID 107629722
N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904200
N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide
CID 54934964
N-(3-ethylsulfanylpropyl)-2-methylsulfonylaniline
CID 116503779

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(2-phenylethyl)aniline?
The IUPAC name of 2-methylsulfonyl-N-(2-phenylethyl)aniline (CID 43388007) is 2-methylsulfonyl-N-(2-phenylethyl)aniline.
What is the SMILES notation for 2-methylsulfonyl-N-(2-phenylethyl)aniline?
The canonical SMILES for 2-methylsulfonyl-N-(2-phenylethyl)aniline is CS(=O)(=O)c1ccccc1NCCc1ccccc1.
What is the InChIKey of 2-methylsulfonyl-N-(2-phenylethyl)aniline?
The InChIKey is VOAHNNLZKGDPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-19(17,18)15-10-6-5-9-14(15)16-12-11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3.
What are the key properties of 2-methylsulfonyl-N-(2-phenylethyl)aniline?
2-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 2-methylsulfonyl-N-(2-phenylethyl)aniline is sourced from PubChem (CID 43388007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).