2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide

C16H17Cl2NO3S — CID 74768382

IUPAC2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(C(C)NS(=O)(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H17Cl2NO3S/c1-3-22-13-9-7-12(8-10-13)11(2)19-23(20,21)16-14(17)5-4-6-15(16)18/h4-11,19H,3H2,1-2H3
InChIKeyAENWXFDXLAYNJB-UHFFFAOYSA-N
MW374.29 g/mol
LogP4.43
Rot. Bonds6

About 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide

2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 74768382) has the molecular formula C16H17Cl2NO3S and a molecular weight of 374.29 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide
PubChem CID74768382
Molecular FormulaC16H17Cl2NO3S
Molecular Weight374.29 g/mol
Exact Mass373.03
IUPAC Name2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(C(C)NS(=O)(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H17Cl2NO3S/c1-3-22-13-9-7-12(8-10-13)11(2)19-23(20,21)16-14(17)5-4-6-15(16)18/h4-11,19H,3H2,1-2H3
InChIKeyAENWXFDXLAYNJB-UHFFFAOYSA-N
XLogP4.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22204794
1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
CID 43907196
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767
N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22204718
methyl 4-chloro-3-[1-(4-ethoxyphenyl)ethylsulfamoyl]benzoate
CID 55598676
1-(2,4-dichlorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
CID 43905164
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
1-(4-ethoxyphenyl)ethanesulfonyl chloride
CID 114996226
1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103710433
(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173816
(2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol
CID 61100563
N-[1-(4-ethoxyphenyl)ethyl]piperazine-1-sulfonamide
CID 61254297

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide (CID 74768382) is 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide is CCOc1ccc(C(C)NS(=O)(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is AENWXFDXLAYNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO3S/c1-3-22-13-9-7-12(8-10-13)11(2)19-23(20,21)16-14(17)5-4-6-15(16)18/h4-11,19H,3H2,1-2H3.
What are the key properties of 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide?
2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 374.29 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 74768382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).