[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichloro-5-[(3-chlorophenyl)sulfamoyl]benzoate

C20H13Cl4N3O5S — CID 25044833

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichloro-5-[(3-chlorophenyl)sulfamoyl]benzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl)Nc1ccc(Cl)cn1
InChIInChI=1S/C20H13Cl4N3O5S/c21-11-2-1-3-13(6-11)27-33(30,31)17-7-14(15(23)8-16(17)24)20(29)32-10-19(28)26-18-5-4-12(22)9-25-18/h1-9,27H,10H2,(H,25,26,28)
InChIKeyLNKZNVCQKHYXMT-UHFFFAOYSA-N
MW549.22 g/mol
LogP5.29
Rot. Bonds7

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichloro-5-[(3-chlorophenyl)sulfamoyl]benzoate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichloro-5-[(3-chlorophenyl)sulfamoyl]benzoate (PubChem CID 25044833) has the molecular formula C20H13Cl4N3O5S and a molecular weight of 549.22 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichloro-5-[(3-chlorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichloro-5-[(3-chlorophenyl)sulfamoyl]benzoate
PubChem CID25044833
Molecular FormulaC20H13Cl4N3O5S
Molecular Weight549.22 g/mol
Exact Mass546.93
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichloro-5-[(3-chlorophenyl)sulfamoyl]benzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl)Nc1ccc(Cl)cn1
InChIInChI=1S/C20H13Cl4N3O5S/c21-11-2-1-3-13(6-11)27-33(30,31)17-7-14(15(23)8-16(17)24)20(29)32-10-19(28)26-18-5-4-12(22)9-25-18/h1-9,27H,10H2,(H,25,26,28)
InChIKeyLNKZNVCQKHYXMT-UHFFFAOYSA-N
XLogP5.29
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.22
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichloro-5-[(3-chlorophenyl)sulfamoyl]benzoate with MolForge

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Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-chloro-5-[(4-iodophenyl)sulfamoyl]benzoate
CID 25041472
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 7873014
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-chlorobenzoate
CID 2479152
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 2617414
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2648905
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate
CID 2545119
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870707
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 2554738
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate
CID 7723007
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7210519
[2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 7722951
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2450474

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichloro-5-[(3-chlorophenyl)sulfamoyl]benzoate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichloro-5-[(3-chlorophenyl)sulfamoyl]benzoate (CID 25044833) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichloro-5-[(3-chlorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichloro-5-[(3-chlorophenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichloro-5-[(3-chlorophenyl)sulfamoyl]benzoate is O=C(COC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichloro-5-[(3-chlorophenyl)sulfamoyl]benzoate?
The InChIKey is LNKZNVCQKHYXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl4N3O5S/c21-11-2-1-3-13(6-11)27-33(30,31)17-7-14(15(23)8-16(17)24)20(29)32-10-19(28)26-18-5-4-12(22)9-25-18/h1-9,27H,10H2,(H,25,26,28).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichloro-5-[(3-chlorophenyl)sulfamoyl]benzoate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichloro-5-[(3-chlorophenyl)sulfamoyl]benzoate has a molecular weight of 549.22 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichloro-5-[(3-chlorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 25044833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).