1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide

C17H19Cl2NO2S — CID 133161036

IUPAC1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide
SMILESCCc1ccc(C(C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO2S/c1-3-13-7-9-14(10-8-13)12(2)20-23(21,22)11-15-16(18)5-4-6-17(15)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyXRQBZOZPYXUEJN-UHFFFAOYSA-N
MW372.32 g/mol
LogP4.74
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide

1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide (PubChem CID 133161036) has the molecular formula C17H19Cl2NO2S and a molecular weight of 372.32 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide
PubChem CID133161036
Molecular FormulaC17H19Cl2NO2S
Molecular Weight372.32 g/mol
Exact Mass371.05
IUPAC Name1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide
SMILESCCc1ccc(C(C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO2S/c1-3-13-7-9-14(10-8-13)12(2)20-23(21,22)11-15-16(18)5-4-6-17(15)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyXRQBZOZPYXUEJN-UHFFFAOYSA-N
XLogP4.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 127508935
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide
CID 42563699
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 94616414
1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
CID 43907196
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide
CID 95733792
1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 92673614
3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 133225048
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952
1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 28569145
1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 43908400
3-cyano-N-[1-(4-ethylphenyl)ethyl]propane-1-sulfonamide
CID 56787518
N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
CID 22201177

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide (CID 133161036) is 1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide is CCc1ccc(C(C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide?
The InChIKey is XRQBZOZPYXUEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO2S/c1-3-13-7-9-14(10-8-13)12(2)20-23(21,22)11-15-16(18)5-4-6-17(15)19/h4-10,12,20H,3,11H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide?
1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide has a molecular weight of 372.32 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 133161036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).