[2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate

C14H9Cl4N3O5S — CID 2482620

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1
InChIInChI=1S/C14H9Cl4N3O5S/c15-9-10(16)12(21-13(18)11(9)17)14(23)26-5-8(22)20-6-1-3-7(4-2-6)27(19,24)25/h1-4H,5H2,(H,20,22)(H2,19,24,25)
InChIKeyYDLRXGNNZCYEOA-UHFFFAOYSA-N
MW473.12 g/mol
LogP3.14
Rot. Bonds5

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate (PubChem CID 2482620) has the molecular formula C14H9Cl4N3O5S and a molecular weight of 473.12 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
PubChem CID2482620
Molecular FormulaC14H9Cl4N3O5S
Molecular Weight473.12 g/mol
Exact Mass470.90
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1
InChIInChI=1S/C14H9Cl4N3O5S/c15-9-10(16)12(21-13(18)11(9)17)14(23)26-5-8(22)20-6-1-3-7(4-2-6)27(19,24)25/h1-4H,5H2,(H,20,22)(H2,19,24,25)
InChIKeyYDLRXGNNZCYEOA-UHFFFAOYSA-N
XLogP3.14
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.12
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloropyridine-4-carboxylate
CID 24524541
[2-(4-methylanilino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 2379405
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265
[2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate
CID 2389466
[2-(2,4-dichloroanilino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 5107504
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate
CID 2515189
[2-(4-methoxyanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994064
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 16508965
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloro-5-nitrobenzoate
CID 5065869
[2-(ethylamino)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 4261495
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
CID 2563718
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-hydroxythiophene-2-carboxylate
CID 166201469

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate (CID 2482620) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
The InChIKey is YDLRXGNNZCYEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl4N3O5S/c15-9-10(16)12(21-13(18)11(9)17)14(23)26-5-8(22)20-6-1-3-7(4-2-6)27(19,24)25/h1-4H,5H2,(H,20,22)(H2,19,24,25).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate has a molecular weight of 473.12 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate is sourced from PubChem (CID 2482620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).