[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate

C16H14Cl3N3O5S — CID 16508965

IUPAC[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1
InChIInChI=1S/C16H14Cl3N3O5S/c1-22(2)28(25,26)10-5-3-9(4-6-10)21-12(23)8-27-16(24)15-14(19)13(18)11(17)7-20-15/h3-7H,8H2,1-2H3,(H,21,23)
InChIKeyPKAWZGNTUWIALJ-UHFFFAOYSA-N
MW466.73 g/mol
LogP3.09
Rot. Bonds6

About [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate

[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate (PubChem CID 16508965) has the molecular formula C16H14Cl3N3O5S and a molecular weight of 466.73 g/mol. Its IUPAC name is [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
PubChem CID16508965
Molecular FormulaC16H14Cl3N3O5S
Molecular Weight466.73 g/mol
Exact Mass464.97
IUPAC Name[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1
InChIInChI=1S/C16H14Cl3N3O5S/c1-22(2)28(25,26)10-5-3-9(4-6-10)21-12(23)8-27-16(24)15-14(19)13(18)11(17)7-20-15/h3-7H,8H2,1-2H3,(H,21,23)
InChIKeyPKAWZGNTUWIALJ-UHFFFAOYSA-N
XLogP3.09
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.73
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate with MolForge

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Related Compounds

[2-[4-(dimethylamino)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 4257818
[2-(4-acetylanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2485001
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2484863
[2-(3,4-difluoroanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 4270126
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 16514566
2-(2,4-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2500700
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 16508938
2-(4-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2710578
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871
[2-(3,5-dichloroanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2115425
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515162
[2-(ethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 4539118

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The IUPAC name of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate (CID 16508965) is [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate.
What is the SMILES notation for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The canonical SMILES for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate is CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1.
What is the InChIKey of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The InChIKey is PKAWZGNTUWIALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3N3O5S/c1-22(2)28(25,26)10-5-3-9(4-6-10)21-12(23)8-27-16(24)15-14(19)13(18)11(17)7-20-15/h3-7H,8H2,1-2H3,(H,21,23).
What are the key properties of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate has a molecular weight of 466.73 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate is sourced from PubChem (CID 16508965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).