2-[(2,3-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonamide

C13H19Cl2NO3S — CID 65003700

IUPAC2-[(2,3-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonamide
SMILESCCC(CC)(COc1cccc(Cl)c1Cl)CS(N)(=O)=O
InChIInChI=1S/C13H19Cl2NO3S/c1-3-13(4-2,9-20(16,17)18)8-19-11-7-5-6-10(14)12(11)15/h5-7H,3-4,8-9H2,1-2H3,(H2,16,17,18)
InChIKeyMSHJJGCMXSDFTP-UHFFFAOYSA-N
MW340.27 g/mol
LogP3.47
Rot. Bonds7

About 2-[(2,3-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonamide

2-[(2,3-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonamide (PubChem CID 65003700) has the molecular formula C13H19Cl2NO3S and a molecular weight of 340.27 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonamide.

Molecular Properties

Compound Name2-[(2,3-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonamide
PubChem CID65003700
Molecular FormulaC13H19Cl2NO3S
Molecular Weight340.27 g/mol
Exact Mass339.05
IUPAC Name2-[(2,3-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonamide
SMILESCCC(CC)(COc1cccc(Cl)c1Cl)CS(N)(=O)=O
InChIInChI=1S/C13H19Cl2NO3S/c1-3-13(4-2,9-20(16,17)18)8-19-11-7-5-6-10(14)12(11)15/h5-7H,3-4,8-9H2,1-2H3,(H2,16,17,18)
InChIKeyMSHJJGCMXSDFTP-UHFFFAOYSA-N
XLogP3.47
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyanophenoxy)methyl]-2-ethylbutane-1-sulfonamide
CID 65004141
2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide
CID 65003642
2-[(2,5-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonyl chloride
CID 64998973
1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine
CID 82131057
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
(2,3-dichlorophenyl) sulfamate
CID 54352588
1-(2,3-dichlorophenoxy)-2-phenylpropan-2-ol
CID 55068242
2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide
CID 82826695
[1-[(2,3-dichlorophenoxy)methyl]cyclohexyl]methanesulfonamide
CID 65006606
3-[(3-chloro-2-nitrophenoxy)methyl]pentan-3-amine
CID 113459400
1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one
CID 107508075
2-(2,3-dichlorophenoxy)ethyl-diethylazanium chloride
CID 134107311

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonamide?
The IUPAC name of 2-[(2,3-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonamide (CID 65003700) is 2-[(2,3-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonamide.
What is the SMILES notation for 2-[(2,3-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonamide?
The canonical SMILES for 2-[(2,3-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonamide is CCC(CC)(COc1cccc(Cl)c1Cl)CS(N)(=O)=O.
What is the InChIKey of 2-[(2,3-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonamide?
The InChIKey is MSHJJGCMXSDFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO3S/c1-3-13(4-2,9-20(16,17)18)8-19-11-7-5-6-10(14)12(11)15/h5-7H,3-4,8-9H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[(2,3-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonamide?
2-[(2,3-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonamide has a molecular weight of 340.27 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonamide is sourced from PubChem (CID 65003700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).