ethyl 2-chloro-5-[(3-chlorophenyl)methylsulfonylamino]benzoate

C16H15Cl2NO4S — CID 46770198

IUPACethyl 2-chloro-5-[(3-chlorophenyl)methylsulfonylamino]benzoate
SMILESCCOC(=O)c1cc(NS(=O)(=O)Cc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C16H15Cl2NO4S/c1-2-23-16(20)14-9-13(6-7-15(14)18)19-24(21,22)10-11-4-3-5-12(17)8-11/h3-9,19H,2,10H2,1H3
InChIKeyBUSRPUJTOQSEMC-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.11
Rot. Bonds6

About ethyl 2-chloro-5-[(3-chlorophenyl)methylsulfonylamino]benzoate

ethyl 2-chloro-5-[(3-chlorophenyl)methylsulfonylamino]benzoate (PubChem CID 46770198) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is ethyl 2-chloro-5-[(3-chlorophenyl)methylsulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-5-[(3-chlorophenyl)methylsulfonylamino]benzoate
PubChem CID46770198
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Nameethyl 2-chloro-5-[(3-chlorophenyl)methylsulfonylamino]benzoate
SMILESCCOC(=O)c1cc(NS(=O)(=O)Cc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C16H15Cl2NO4S/c1-2-23-16(20)14-9-13(6-7-15(14)18)19-24(21,22)10-11-4-3-5-12(17)8-11/h3-9,19H,2,10H2,1H3
InChIKeyBUSRPUJTOQSEMC-UHFFFAOYSA-N
XLogP4.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.11
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-[(3-chlorophenyl)methylsulfonylamino]benzoate?
The IUPAC name of ethyl 2-chloro-5-[(3-chlorophenyl)methylsulfonylamino]benzoate (CID 46770198) is ethyl 2-chloro-5-[(3-chlorophenyl)methylsulfonylamino]benzoate.
What is the SMILES notation for ethyl 2-chloro-5-[(3-chlorophenyl)methylsulfonylamino]benzoate?
The canonical SMILES for ethyl 2-chloro-5-[(3-chlorophenyl)methylsulfonylamino]benzoate is CCOC(=O)c1cc(NS(=O)(=O)Cc2cccc(Cl)c2)ccc1Cl.
What is the InChIKey of ethyl 2-chloro-5-[(3-chlorophenyl)methylsulfonylamino]benzoate?
The InChIKey is BUSRPUJTOQSEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c1-2-23-16(20)14-9-13(6-7-15(14)18)19-24(21,22)10-11-4-3-5-12(17)8-11/h3-9,19H,2,10H2,1H3.
What are the key properties of ethyl 2-chloro-5-[(3-chlorophenyl)methylsulfonylamino]benzoate?
ethyl 2-chloro-5-[(3-chlorophenyl)methylsulfonylamino]benzoate has a molecular weight of 388.27 g/mol, XLogP of 4.11, 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-[(3-chlorophenyl)methylsulfonylamino]benzoate is sourced from PubChem (CID 46770198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).