N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline

C15H15Cl2NO2S — CID 43738191

IUPACN-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccccc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H15Cl2NO2S/c1-2-21(19,20)15-9-4-3-8-14(15)18-10-11-12(16)6-5-7-13(11)17/h3-9,18H,2,10H2,1H3
InChIKeyHYPACTLQRUIVKU-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.40
Rot. Bonds5

About N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline

N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline (PubChem CID 43738191) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline
PubChem CID43738191
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccccc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H15Cl2NO2S/c1-2-21(19,20)15-9-4-3-8-14(15)18-10-11-12(16)6-5-7-13(11)17/h3-9,18H,2,10H2,1H3
InChIKeyHYPACTLQRUIVKU-UHFFFAOYSA-N
XLogP4.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline
CID 83169174
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethylsulfonylaniline
CID 43738227
2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 62307879
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylsulfonylaniline
CID 107123989
N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline
CID 62346709
N-[(6-bromo-2-pyridinyl)methyl]-2-ethylsulfonylaniline
CID 115938075
3-[(2-ethylsulfonylanilino)methyl]-2-methylaniline
CID 103110760
2-tert-butyl-N-[(2,6-dichlorophenyl)methyl]aniline
CID 43229696
2-[(2-ethylsulfonylanilino)methyl]-6-fluorophenol
CID 115951450
N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline
CID 114555359
N-(3,3-dimethylbutyl)-2-ethylsulfonylaniline
CID 62951511
2-ethylsulfonyl-N-[(4-methylsulfinylphenyl)methyl]aniline
CID 102562312

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline (CID 43738191) is N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline is CCS(=O)(=O)c1ccccc1NCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline?
The InChIKey is HYPACTLQRUIVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c1-2-21(19,20)15-9-4-3-8-14(15)18-10-11-12(16)6-5-7-13(11)17/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline?
N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline has a molecular weight of 344.26 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline is sourced from PubChem (CID 43738191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).