2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline

C17H21NO2S — CID 43738209

IUPAC2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NC(C)c1ccccc1C
InChIInChI=1S/C17H21NO2S/c1-4-21(19,20)17-12-8-7-11-16(17)18-14(3)15-10-6-5-9-13(15)2/h5-12,14,18H,4H2,1-3H3
InChIKeyGSHKVMPBBWMJFB-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.96
Rot. Bonds5

About 2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline

2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline (PubChem CID 43738209) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline
PubChem CID43738209
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NC(C)c1ccccc1C
InChIInChI=1S/C17H21NO2S/c1-4-21(19,20)17-12-8-7-11-16(17)18-14(3)15-10-6-5-9-13(15)2/h5-12,14,18H,4H2,1-3H3
InChIKeyGSHKVMPBBWMJFB-UHFFFAOYSA-N
XLogP3.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline
CID 43233045
2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline
CID 43453587
2-ethylsulfonyl-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 93096842
N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline
CID 61000541
[2-[1-(2-methylphenyl)ethylamino]phenyl]methanol
CID 43743253
2-methyl-N-[1-(2-methylphenyl)ethyl]pyridin-3-amine
CID 79041978
2-(2-ethylsulfonylanilino)-N-methylpropanamide
CID 54950934
N-(2-ethylsulfonylphenyl)pyrrol-1-amine
CID 79106671
2-methoxy-N-[1-(2-methylphenyl)ethyl]aniline
CID 43191325
N-[1-(2-fluorophenyl)ethyl]-2-methylsulfonylaniline
CID 43232220
N-methyl-2-[2-[1-(2-methylphenyl)ethylamino]phenyl]acetamide
CID 43692245
2-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43178628

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline?
The IUPAC name of 2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline (CID 43738209) is 2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline.
What is the SMILES notation for 2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline?
The canonical SMILES for 2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline is CCS(=O)(=O)c1ccccc1NC(C)c1ccccc1C.
What is the InChIKey of 2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline?
The InChIKey is GSHKVMPBBWMJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-4-21(19,20)17-12-8-7-11-16(17)18-14(3)15-10-6-5-9-13(15)2/h5-12,14,18H,4H2,1-3H3.
What are the key properties of 2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline?
2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline has a molecular weight of 303.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline is sourced from PubChem (CID 43738209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).