5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine

C13H19Cl2NO2S — CID 64676520

IUPAC5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine
SMILESCCNC(C)CCCS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2NO2S/c1-3-16-10(2)6-5-9-19(17,18)13-11(14)7-4-8-12(13)15/h4,7-8,10,16H,3,5-6,9H2,1-2H3
InChIKeyKNGJCIDKCDTSOG-UHFFFAOYSA-N
MW324.27 g/mol
LogP3.55
Rot. Bonds7

About 5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine

5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine (PubChem CID 64676520) has the molecular formula C13H19Cl2NO2S and a molecular weight of 324.27 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine
PubChem CID64676520
Molecular FormulaC13H19Cl2NO2S
Molecular Weight324.27 g/mol
Exact Mass323.05
IUPAC Name5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine
SMILESCCNC(C)CCCS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2NO2S/c1-3-16-10(2)6-5-9-19(17,18)13-11(14)7-4-8-12(13)15/h4,7-8,10,16H,3,5-6,9H2,1-2H3
InChIKeyKNGJCIDKCDTSOG-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine
CID 64640593
5-(benzenesulfonyl)-N-propylpentan-2-amine
CID 62916866
5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine
CID 64504471
6-(2,6-dichlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714756
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethylpentan-2-amine
CID 64645667
4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine
CID 64676319
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-6-methylheptan-2-amine
CID 83169673
N-[2-(2,6-dichlorophenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64675930
6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine
CID 106807693
5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine
CID 64645664
4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine
CID 64631084

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine?
The IUPAC name of 5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine (CID 64676520) is 5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine.
What is the SMILES notation for 5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine?
The canonical SMILES for 5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine is CCNC(C)CCCS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine?
The InChIKey is KNGJCIDKCDTSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2S/c1-3-16-10(2)6-5-9-19(17,18)13-11(14)7-4-8-12(13)15/h4,7-8,10,16H,3,5-6,9H2,1-2H3.
What are the key properties of 5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine?
5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine has a molecular weight of 324.27 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine is sourced from PubChem (CID 64676520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).