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

C14H10Cl3N3O5S — CID 2424890

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1
InChIInChI=1S/C14H10Cl3N3O5S/c15-9-5-19-13(12(17)11(9)16)14(22)25-6-10(21)20-7-1-3-8(4-2-7)26(18,23)24/h1-5H,6H2,(H,20,21)(H2,18,23,24)
InChIKeyHSWSMAVSBJXQMM-UHFFFAOYSA-N
MW438.68 g/mol
LogP2.48
Rot. Bonds5

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

[2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5-trichloropyridine-2-carboxylate (PubChem CID 2424890) has the molecular formula C14H10Cl3N3O5S and a molecular weight of 438.68 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5-trichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5-trichloropyridine-2-carboxylate
PubChem CID2424890
Molecular FormulaC14H10Cl3N3O5S
Molecular Weight438.68 g/mol
Exact Mass436.94
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1
InChIInChI=1S/C14H10Cl3N3O5S/c15-9-5-19-13(12(17)11(9)16)14(22)25-6-10(21)20-7-1-3-8(4-2-7)26(18,23)24/h1-5H,6H2,(H,20,21)(H2,18,23,24)
InChIKeyHSWSMAVSBJXQMM-UHFFFAOYSA-N
XLogP2.48
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.68
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5-trichloropyridine-2-carboxylate with MolForge

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Related Compounds

2-Pyridinecarboxylic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester
CID 644682
{[4-(Pyrrolidine-1-sulfonyl)phenyl]carbamoyl}methyl 5,6-dichloropyridine-3-carboxylate
CID 2434351
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 4025840
[2-(2,6-Dichloro-4-sulfamoylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 7776477
[2-(2-Chloro-5-methylsulfonylanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 16286283
[2-[4-Chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 4536858
2-(2,5-Dichlorophenylamino)-2-oxoethyl picolinate
CID 1088642
[2-(3-Chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088651
[2-(4-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2107481
[2-(2,6-Dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2365246
[(4-Sulfamoylphenyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate
CID 2429460
[2-(2-Chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2999427

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5-trichloropyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5-trichloropyridine-2-carboxylate (CID 2424890) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5-trichloropyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5-trichloropyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5-trichloropyridine-2-carboxylate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5-trichloropyridine-2-carboxylate?
The InChIKey is HSWSMAVSBJXQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3O5S/c15-9-5-19-13(12(17)11(9)16)14(22)25-6-10(21)20-7-1-3-8(4-2-7)26(18,23)24/h1-5H,6H2,(H,20,21)(H2,18,23,24).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5-trichloropyridine-2-carboxylate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5-trichloropyridine-2-carboxylate has a molecular weight of 438.68 g/mol, XLogP of 2.48, 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-trichloropyridine-2-carboxylate is sourced from PubChem (CID 2424890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).