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

C17H19Cl2NO3S — CID 43905164

IUPAC1-(2,4-dichlorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
SMILESCCOc1ccc(C(C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO3S/c1-3-23-16-8-5-13(6-9-16)12(2)20-24(21,22)11-14-4-7-15(18)10-17(14)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyCQYMZVCUQGHRGQ-UHFFFAOYSA-N
MW388.32 g/mol
LogP4.57
Rot. Bonds7

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

1-(2,4-dichlorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide (PubChem CID 43905164) has the molecular formula C17H19Cl2NO3S and a molecular weight of 388.32 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
PubChem CID43905164
Molecular FormulaC17H19Cl2NO3S
Molecular Weight388.32 g/mol
Exact Mass387.05
IUPAC Name1-(2,4-dichlorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
SMILESCCOc1ccc(C(C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO3S/c1-3-23-16-8-5-13(6-9-16)12(2)20-24(21,22)11-14-4-7-15(18)10-17(14)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyCQYMZVCUQGHRGQ-UHFFFAOYSA-N
XLogP4.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide
CID 92672393
1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
CID 43907196
1-(2,4-dichlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanesulfonamide
CID 133230322
2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide
CID 74768382
1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 38009978
[2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethyl]hydrazine
CID 105200111
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 16580047
1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 92673614
N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide
CID 47108536
1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 43908400
2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 63411878

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide (CID 43905164) is 1-(2,4-dichlorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide is CCOc1ccc(C(C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide?
The InChIKey is CQYMZVCUQGHRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO3S/c1-3-23-16-8-5-13(6-9-16)12(2)20-24(21,22)11-14-4-7-15(18)10-17(14)19/h4-10,12,20H,3,11H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide?
1-(2,4-dichlorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide has a molecular weight of 388.32 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 43905164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).