ethyl 2-[(2-chlorophenyl)sulfonylamino]hexanoate

C14H20ClNO4S — CID 3811471

IUPACethyl 2-[(2-chlorophenyl)sulfonylamino]hexanoate
SMILESCCCCC(NS(=O)(=O)c1ccccc1Cl)C(=O)OCC
InChIInChI=1S/C14H20ClNO4S/c1-3-5-9-12(14(17)20-4-2)16-21(18,19)13-10-7-6-8-11(13)15/h6-8,10,12,16H,3-5,9H2,1-2H3
InChIKeyQFMIZPDAYIZKAZ-UHFFFAOYSA-N
MW333.84 g/mol
LogP2.74
Rot. Bonds8

About ethyl 2-[(2-chlorophenyl)sulfonylamino]hexanoate

ethyl 2-[(2-chlorophenyl)sulfonylamino]hexanoate (PubChem CID 3811471) has the molecular formula C14H20ClNO4S and a molecular weight of 333.84 g/mol. Its IUPAC name is ethyl 2-[(2-chlorophenyl)sulfonylamino]hexanoate.

Molecular Properties

Compound Nameethyl 2-[(2-chlorophenyl)sulfonylamino]hexanoate
PubChem CID3811471
Molecular FormulaC14H20ClNO4S
Molecular Weight333.84 g/mol
Exact Mass333.08
IUPAC Nameethyl 2-[(2-chlorophenyl)sulfonylamino]hexanoate
SMILESCCCCC(NS(=O)(=O)c1ccccc1Cl)C(=O)OCC
InChIInChI=1S/C14H20ClNO4S/c1-3-5-9-12(14(17)20-4-2)16-21(18,19)13-10-7-6-8-11(13)15/h6-8,10,12,16H,3-5,9H2,1-2H3
InChIKeyQFMIZPDAYIZKAZ-UHFFFAOYSA-N
XLogP2.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chlorophenyl)sulfonylamino]hexanoate?
The IUPAC name of ethyl 2-[(2-chlorophenyl)sulfonylamino]hexanoate (CID 3811471) is ethyl 2-[(2-chlorophenyl)sulfonylamino]hexanoate.
What is the SMILES notation for ethyl 2-[(2-chlorophenyl)sulfonylamino]hexanoate?
The canonical SMILES for ethyl 2-[(2-chlorophenyl)sulfonylamino]hexanoate is CCCCC(NS(=O)(=O)c1ccccc1Cl)C(=O)OCC.
What is the InChIKey of ethyl 2-[(2-chlorophenyl)sulfonylamino]hexanoate?
The InChIKey is QFMIZPDAYIZKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4S/c1-3-5-9-12(14(17)20-4-2)16-21(18,19)13-10-7-6-8-11(13)15/h6-8,10,12,16H,3-5,9H2,1-2H3.
What are the key properties of ethyl 2-[(2-chlorophenyl)sulfonylamino]hexanoate?
ethyl 2-[(2-chlorophenyl)sulfonylamino]hexanoate has a molecular weight of 333.84 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chlorophenyl)sulfonylamino]hexanoate is sourced from PubChem (CID 3811471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).