N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline

C16H19NO2S — CID 43233045

IUPACN-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline
SMILESCc1ccccc1C(C)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C16H19NO2S/c1-12-8-4-5-9-14(12)13(2)17-15-10-6-7-11-16(15)20(3,18)19/h4-11,13,17H,1-3H3
InChIKeyNELNLCAKCYJDGZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.57
Rot. Bonds4

About N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline

N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline (PubChem CID 43233045) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline
PubChem CID43233045
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline
SMILESCc1ccccc1C(C)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C16H19NO2S/c1-12-8-4-5-9-14(12)13(2)17-15-10-6-7-11-16(15)20(3,18)19/h4-11,13,17H,1-3H3
InChIKeyNELNLCAKCYJDGZ-UHFFFAOYSA-N
XLogP3.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43738209
N-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline
CID 43232220
3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43096271
2-methyl-N-[1-(2-methylphenyl)ethyl]pyridin-3-amine
CID 79041978
2-methylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630343
2-methoxy-N-[1-(2-methylphenyl)ethyl]aniline
CID 43191325
2-(2-methylsulfonylanilino)propanamide
CID 43402598
[2-[1-(2-methylphenyl)ethylamino]phenyl]methanol
CID 43743253
2-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43178628
2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43196698
2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide
CID 43101041
N-(2-methylpropyl)-2-methylsulfonylaniline
CID 43388031

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline (CID 43233045) is N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline is Cc1ccccc1C(C)Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline?
The InChIKey is NELNLCAKCYJDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-8-4-5-9-14(12)13(2)17-15-10-6-7-11-16(15)20(3,18)19/h4-11,13,17H,1-3H3.
What are the key properties of N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline?
N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline has a molecular weight of 289.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline is sourced from PubChem (CID 43233045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).