2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine

C14H19Cl2NO3S — CID 104754077

IUPAC2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CS(=O)(=O)c1c(Cl)cccc1Cl)C1CCOC1
InChIInChI=1S/C14H19Cl2NO3S/c1-2-17-13(10-6-7-20-8-10)9-21(18,19)14-11(15)4-3-5-12(14)16/h3-5,10,13,17H,2,6-9H2,1H3
InChIKeySCDKXQUEUCPJOZ-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.78
Rot. Bonds6

About 2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine

2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104754077) has the molecular formula C14H19Cl2NO3S and a molecular weight of 352.28 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine
PubChem CID104754077
Molecular FormulaC14H19Cl2NO3S
Molecular Weight352.28 g/mol
Exact Mass351.05
IUPAC Name2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CS(=O)(=O)c1c(Cl)cccc1Cl)C1CCOC1
InChIInChI=1S/C14H19Cl2NO3S/c1-2-17-13(10-6-7-20-8-10)9-21(18,19)14-11(15)4-3-5-12(14)16/h3-5,10,13,17H,2,6-9H2,1H3
InChIKeySCDKXQUEUCPJOZ-UHFFFAOYSA-N
XLogP2.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine
CID 104753895
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276626
1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine
CID 64675532
N-ethyl-2-[(2-methylphenyl)methylsulfonyl]-1-(oxolan-3-yl)ethanamine
CID 104754198
2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 62503594
2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104754168
N-[2-(3-methylphenyl)sulfonyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104754220
2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 63045973
2-cyclohexylsulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104754135
2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104754280
2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 107308697
N-[(3-chloro-2-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 64713292

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine (CID 104754077) is 2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine is CCNC(CS(=O)(=O)c1c(Cl)cccc1Cl)C1CCOC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is SCDKXQUEUCPJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3S/c1-2-17-13(10-6-7-20-8-10)9-21(18,19)14-11(15)4-3-5-12(14)16/h3-5,10,13,17H,2,6-9H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine?
2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 352.28 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104754077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).