2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide

C21H18Cl3N3O5S — CID 59850007

IUPAC2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H18Cl3N3O5S/c1-31-9-8-25-20(28)15-4-2-3-5-19(15)32-21-18(10-13(22)12-26-21)27-33(29,30)14-6-7-16(23)17(24)11-14/h2-7,10-12,27H,8-9H2,1H3,(H,25,28)
InChIKeyHAOFCYWFFXYRML-UHFFFAOYSA-N
MW530.82 g/mol
LogP5.01
Rot. Bonds9

About 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide

2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide (PubChem CID 59850007) has the molecular formula C21H18Cl3N3O5S and a molecular weight of 530.82 g/mol. Its IUPAC name is 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
PubChem CID59850007
Molecular FormulaC21H18Cl3N3O5S
Molecular Weight530.82 g/mol
Exact Mass529.00
IUPAC Name2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H18Cl3N3O5S/c1-31-9-8-25-20(28)15-4-2-3-5-19(15)32-21-18(10-13(22)12-26-21)27-33(29,30)14-6-7-16(23)17(24)11-14/h2-7,10-12,27H,8-9H2,1H3,(H,25,28)
InChIKeyHAOFCYWFFXYRML-UHFFFAOYSA-N
XLogP5.01
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.82
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide (CID 59850007) is 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide?
The InChIKey is HAOFCYWFFXYRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl3N3O5S/c1-31-9-8-25-20(28)15-4-2-3-5-19(15)32-21-18(10-13(22)12-26-21)27-33(29,30)14-6-7-16(23)17(24)11-14/h2-7,10-12,27H,8-9H2,1H3,(H,25,28).
What are the key properties of 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide?
2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide has a molecular weight of 530.82 g/mol, XLogP of 5.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 59850007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).