ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-[(5-chloro-3-pyridinyl)oxy]benzoate

C20H16Cl2N2O5S — CID 2800607

IUPACethyl 5-[(4-chlorophenyl)sulfonylamino]-2-[(5-chloro-3-pyridinyl)oxy]benzoate
SMILESCCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C20H16Cl2N2O5S/c1-2-28-20(25)18-10-15(24-30(26,27)17-6-3-13(21)4-7-17)5-8-19(18)29-16-9-14(22)11-23-12-16/h3-12,24H,2H2,1H3
InChIKeyATATWYPMZHQPEU-UHFFFAOYSA-N
MW467.33 g/mol
LogP5.16
Rot. Bonds7

About ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-[(5-chloro-3-pyridinyl)oxy]benzoate

ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-[(5-chloro-3-pyridinyl)oxy]benzoate (PubChem CID 2800607) has the molecular formula C20H16Cl2N2O5S and a molecular weight of 467.33 g/mol. Its IUPAC name is ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-[(5-chloro-3-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Nameethyl 5-[(4-chlorophenyl)sulfonylamino]-2-[(5-chloro-3-pyridinyl)oxy]benzoate
PubChem CID2800607
Molecular FormulaC20H16Cl2N2O5S
Molecular Weight467.33 g/mol
Exact Mass466.02
IUPAC Nameethyl 5-[(4-chlorophenyl)sulfonylamino]-2-[(5-chloro-3-pyridinyl)oxy]benzoate
SMILESCCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C20H16Cl2N2O5S/c1-2-28-20(25)18-10-15(24-30(26,27)17-6-3-13(21)4-7-17)5-8-19(18)29-16-9-14(22)11-23-12-16/h3-12,24H,2H2,1H3
InChIKeyATATWYPMZHQPEU-UHFFFAOYSA-N
XLogP5.16
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.33
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-[(5-chloro-3-pyridinyl)oxy]benzoate?
The IUPAC name of ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-[(5-chloro-3-pyridinyl)oxy]benzoate (CID 2800607) is ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-[(5-chloro-3-pyridinyl)oxy]benzoate.
What is the SMILES notation for ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-[(5-chloro-3-pyridinyl)oxy]benzoate?
The canonical SMILES for ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-[(5-chloro-3-pyridinyl)oxy]benzoate is CCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Oc1cncc(Cl)c1.
What is the InChIKey of ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-[(5-chloro-3-pyridinyl)oxy]benzoate?
The InChIKey is ATATWYPMZHQPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O5S/c1-2-28-20(25)18-10-15(24-30(26,27)17-6-3-13(21)4-7-17)5-8-19(18)29-16-9-14(22)11-23-12-16/h3-12,24H,2H2,1H3.
What are the key properties of ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-[(5-chloro-3-pyridinyl)oxy]benzoate?
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-[(5-chloro-3-pyridinyl)oxy]benzoate has a molecular weight of 467.33 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-[(5-chloro-3-pyridinyl)oxy]benzoate is sourced from PubChem (CID 2800607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).