2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide

C17H18Cl3N3O4S — CID 41114327

IUPAC2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C17H18Cl3N3O4S/c1-3-23(4-2)28(26,27)11-5-6-17(25)22(9-11)10-16(24)21-15-8-13(19)12(18)7-14(15)20/h5-9H,3-4,10H2,1-2H3,(H,21,24)
InChIKeyIXTWDIYRGNUCIE-UHFFFAOYSA-N
MW466.77 g/mol
LogP3.48
Rot. Bonds7

About 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 41114327) has the molecular formula C17H18Cl3N3O4S and a molecular weight of 466.77 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID41114327
Molecular FormulaC17H18Cl3N3O4S
Molecular Weight466.77 g/mol
Exact Mass465.01
IUPAC Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C17H18Cl3N3O4S/c1-3-23(4-2)28(26,27)11-5-6-17(25)22(9-11)10-16(24)21-15-8-13(19)12(18)7-14(15)20/h5-9H,3-4,10H2,1-2H3,(H,21,24)
InChIKeyIXTWDIYRGNUCIE-UHFFFAOYSA-N
XLogP3.48
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.77
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7252282
N-(4-chloro-2-fluorophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16552949
N-(5-chloro-2-methoxyphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16548528
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4-difluorophenyl)acetamide
CID 7252313
N-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16546169
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-iodophenyl)acetamide
CID 16552124
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-fluorophenyl)acetamide
CID 7252285
N-(4-cyanophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16552503
N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 9401741
N-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7768257
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide
CID 9399528
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-ethyl-3-nitrophenyl)acetamide
CID 30839874

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide (CID 41114327) is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is IXTWDIYRGNUCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl3N3O4S/c1-3-23(4-2)28(26,27)11-5-6-17(25)22(9-11)10-16(24)21-15-8-13(19)12(18)7-14(15)20/h5-9H,3-4,10H2,1-2H3,(H,21,24).
What are the key properties of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide?
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 466.77 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 41114327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).