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

C14H11Cl2N3O5S — CID 2429460

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 5,6-dichloropyridine-3-carboxylate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H11Cl2N3O5S/c15-11-5-8(6-18-13(11)16)14(21)24-7-12(20)19-9-1-3-10(4-2-9)25(17,22)23/h1-6H,7H2,(H,19,20)(H2,17,22,23)
InChIKeyVYWVFMXNBGVOPR-UHFFFAOYSA-N
MW404.23 g/mol
LogP1.83
Rot. Bonds5

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

[2-oxo-2-(4-sulfamoylanilino)ethyl] 5,6-dichloropyridine-3-carboxylate (PubChem CID 2429460) has the molecular formula C14H11Cl2N3O5S and a molecular weight of 404.23 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 5,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 5,6-dichloropyridine-3-carboxylate
PubChem CID2429460
Molecular FormulaC14H11Cl2N3O5S
Molecular Weight404.23 g/mol
Exact Mass402.98
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 5,6-dichloropyridine-3-carboxylate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H11Cl2N3O5S/c15-11-5-8(6-18-13(11)16)14(21)24-7-12(20)19-9-1-3-10(4-2-9)25(17,22)23/h1-6H,7H2,(H,19,20)(H2,17,22,23)
InChIKeyVYWVFMXNBGVOPR-UHFFFAOYSA-N
XLogP1.83
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.23
LogP ≤ 51.83
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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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 5,6-dichloropyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 5,6-dichloropyridine-3-carboxylate (CID 2429460) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 5,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 5,6-dichloropyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 5,6-dichloropyridine-3-carboxylate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 5,6-dichloropyridine-3-carboxylate?
The InChIKey is VYWVFMXNBGVOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O5S/c15-11-5-8(6-18-13(11)16)14(21)24-7-12(20)19-9-1-3-10(4-2-9)25(17,22)23/h1-6H,7H2,(H,19,20)(H2,17,22,23).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 5,6-dichloropyridine-3-carboxylate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 5,6-dichloropyridine-3-carboxylate has a molecular weight of 404.23 g/mol, XLogP of 1.83, 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] 5,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 2429460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).