N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline

C16H18ClNO2S — CID 83169174

IUPACN-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1c(Cl)cccc1S(C)(=O)=O
InChIInChI=1S/C16H18ClNO2S/c1-3-12-7-4-5-9-15(12)18-11-13-14(17)8-6-10-16(13)21(2,19)20/h4-10,18H,3,11H2,1-2H3
InChIKeyWNHOJPHJRTWRAA-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.92
Rot. Bonds5

About N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline

N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline (PubChem CID 83169174) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline
PubChem CID83169174
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC NameN-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1c(Cl)cccc1S(C)(=O)=O
InChIInChI=1S/C16H18ClNO2S/c1-3-12-7-4-5-9-15(12)18-11-13-14(17)8-6-10-16(13)21(2,19)20/h4-10,18H,3,11H2,1-2H3
InChIKeyWNHOJPHJRTWRAA-UHFFFAOYSA-N
XLogP3.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline
CID 43738191
4-bromo-2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]aniline
CID 83168329
2-chloro-6-[(2-methylsulfonylanilino)methyl]phenol
CID 115951350
1,2-diethyl-3-methylsulfonylbenzene
CID 19834656
4-bromo-N-[(2-chloro-6-methylsulfonylphenyl)methyl]aniline
CID 83169873
[2-[(2,6-dichlorophenyl)methylamino]phenyl]methanol
CID 43229623
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-methylpentan-3-amine
CID 83169880
N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline
CID 43677929
(1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-phenylethanamine
CID 83168346
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-3-methylpentan-2-amine
CID 83170991
2-bromo-N-[(2-chloro-6-methylsulfonylphenyl)methyl]prop-2-en-1-amine
CID 104589766
N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
CID 83170984

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline?
The IUPAC name of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline (CID 83169174) is N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline.
What is the SMILES notation for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline?
The canonical SMILES for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline is CCc1ccccc1NCc1c(Cl)cccc1S(C)(=O)=O.
What is the InChIKey of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline?
The InChIKey is WNHOJPHJRTWRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-3-12-7-4-5-9-15(12)18-11-13-14(17)8-6-10-16(13)21(2,19)20/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline?
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline has a molecular weight of 323.85 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline is sourced from PubChem (CID 83169174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).