ethyl 2-[(2,5-dichlorophenyl)sulfonylamino]hexanoate

C14H19Cl2NO4S — CID 4982662

IUPACethyl 2-[(2,5-dichlorophenyl)sulfonylamino]hexanoate
SMILESCCCCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OCC
InChIInChI=1S/C14H19Cl2NO4S/c1-3-5-6-12(14(18)21-4-2)17-22(19,20)13-9-10(15)7-8-11(13)16/h7-9,12,17H,3-6H2,1-2H3
InChIKeyWUWJDOVVOIJRAS-UHFFFAOYSA-N
MW368.28 g/mol
LogP3.39
Rot. Bonds8

About ethyl 2-[(2,5-dichlorophenyl)sulfonylamino]hexanoate

ethyl 2-[(2,5-dichlorophenyl)sulfonylamino]hexanoate (PubChem CID 4982662) has the molecular formula C14H19Cl2NO4S and a molecular weight of 368.28 g/mol. Its IUPAC name is ethyl 2-[(2,5-dichlorophenyl)sulfonylamino]hexanoate.

Molecular Properties

Compound Nameethyl 2-[(2,5-dichlorophenyl)sulfonylamino]hexanoate
PubChem CID4982662
Molecular FormulaC14H19Cl2NO4S
Molecular Weight368.28 g/mol
Exact Mass367.04
IUPAC Nameethyl 2-[(2,5-dichlorophenyl)sulfonylamino]hexanoate
SMILESCCCCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OCC
InChIInChI=1S/C14H19Cl2NO4S/c1-3-5-6-12(14(18)21-4-2)17-22(19,20)13-9-10(15)7-8-11(13)16/h7-9,12,17H,3-6H2,1-2H3
InChIKeyWUWJDOVVOIJRAS-UHFFFAOYSA-N
XLogP3.39
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,5-dichlorophenyl)sulfonylamino]hexanoate?
The IUPAC name of ethyl 2-[(2,5-dichlorophenyl)sulfonylamino]hexanoate (CID 4982662) is ethyl 2-[(2,5-dichlorophenyl)sulfonylamino]hexanoate.
What is the SMILES notation for ethyl 2-[(2,5-dichlorophenyl)sulfonylamino]hexanoate?
The canonical SMILES for ethyl 2-[(2,5-dichlorophenyl)sulfonylamino]hexanoate is CCCCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OCC.
What is the InChIKey of ethyl 2-[(2,5-dichlorophenyl)sulfonylamino]hexanoate?
The InChIKey is WUWJDOVVOIJRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO4S/c1-3-5-6-12(14(18)21-4-2)17-22(19,20)13-9-10(15)7-8-11(13)16/h7-9,12,17H,3-6H2,1-2H3.
What are the key properties of ethyl 2-[(2,5-dichlorophenyl)sulfonylamino]hexanoate?
ethyl 2-[(2,5-dichlorophenyl)sulfonylamino]hexanoate has a molecular weight of 368.28 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,5-dichlorophenyl)sulfonylamino]hexanoate is sourced from PubChem (CID 4982662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).