ethyl 2-chloro-5-[(2,4-dichlorophenyl)methylsulfonylamino]benzoate

C16H14Cl3NO4S — CID 30381867

IUPACethyl 2-chloro-5-[(2,4-dichlorophenyl)methylsulfonylamino]benzoate
SMILESCCOC(=O)c1cc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)ccc1Cl
InChIInChI=1S/C16H14Cl3NO4S/c1-2-24-16(21)13-8-12(5-6-14(13)18)20-25(22,23)9-10-3-4-11(17)7-15(10)19/h3-8,20H,2,9H2,1H3
InChIKeyMXFFDZLOZSQUIX-UHFFFAOYSA-N
MW422.72 g/mol
LogP4.77
Rot. Bonds6

About ethyl 2-chloro-5-[(2,4-dichlorophenyl)methylsulfonylamino]benzoate

ethyl 2-chloro-5-[(2,4-dichlorophenyl)methylsulfonylamino]benzoate (PubChem CID 30381867) has the molecular formula C16H14Cl3NO4S and a molecular weight of 422.72 g/mol. Its IUPAC name is ethyl 2-chloro-5-[(2,4-dichlorophenyl)methylsulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-5-[(2,4-dichlorophenyl)methylsulfonylamino]benzoate
PubChem CID30381867
Molecular FormulaC16H14Cl3NO4S
Molecular Weight422.72 g/mol
Exact Mass420.97
IUPAC Nameethyl 2-chloro-5-[(2,4-dichlorophenyl)methylsulfonylamino]benzoate
SMILESCCOC(=O)c1cc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)ccc1Cl
InChIInChI=1S/C16H14Cl3NO4S/c1-2-24-16(21)13-8-12(5-6-14(13)18)20-25(22,23)9-10-3-4-11(17)7-15(10)19/h3-8,20H,2,9H2,1H3
InChIKeyMXFFDZLOZSQUIX-UHFFFAOYSA-N
XLogP4.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.72
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5-[(2,4-dichlorophenyl)methylsulfonylamino]benzoate?
The IUPAC name of ethyl 2-chloro-5-[(2,4-dichlorophenyl)methylsulfonylamino]benzoate (CID 30381867) is ethyl 2-chloro-5-[(2,4-dichlorophenyl)methylsulfonylamino]benzoate.
What is the SMILES notation for ethyl 2-chloro-5-[(2,4-dichlorophenyl)methylsulfonylamino]benzoate?
The canonical SMILES for ethyl 2-chloro-5-[(2,4-dichlorophenyl)methylsulfonylamino]benzoate is CCOC(=O)c1cc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)ccc1Cl.
What is the InChIKey of ethyl 2-chloro-5-[(2,4-dichlorophenyl)methylsulfonylamino]benzoate?
The InChIKey is MXFFDZLOZSQUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO4S/c1-2-24-16(21)13-8-12(5-6-14(13)18)20-25(22,23)9-10-3-4-11(17)7-15(10)19/h3-8,20H,2,9H2,1H3.
What are the key properties of ethyl 2-chloro-5-[(2,4-dichlorophenyl)methylsulfonylamino]benzoate?
ethyl 2-chloro-5-[(2,4-dichlorophenyl)methylsulfonylamino]benzoate has a molecular weight of 422.72 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-5-[(2,4-dichlorophenyl)methylsulfonylamino]benzoate is sourced from PubChem (CID 30381867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).