[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloropyridine-4-carboxylate

C14H12ClN3O5S — CID 24524541

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloropyridine-4-carboxylate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccnc(Cl)c2)cc1
InChIInChI=1S/C14H12ClN3O5S/c15-12-7-9(5-6-17-12)14(20)23-8-13(19)18-10-1-3-11(4-2-10)24(16,21)22/h1-7H,8H2,(H,18,19)(H2,16,21,22)
InChIKeyPFBHBGNIXQNKPI-UHFFFAOYSA-N
MW369.79 g/mol
LogP1.18
Rot. Bonds5

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloropyridine-4-carboxylate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloropyridine-4-carboxylate (PubChem CID 24524541) has the molecular formula C14H12ClN3O5S and a molecular weight of 369.79 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloropyridine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloropyridine-4-carboxylate
PubChem CID24524541
Molecular FormulaC14H12ClN3O5S
Molecular Weight369.79 g/mol
Exact Mass369.02
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloropyridine-4-carboxylate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccnc(Cl)c2)cc1
InChIInChI=1S/C14H12ClN3O5S/c15-12-7-9(5-6-17-12)14(20)23-8-13(19)18-10-1-3-11(4-2-10)24(16,21)22/h1-7H,8H2,(H,18,19)(H2,16,21,22)
InChIKeyPFBHBGNIXQNKPI-UHFFFAOYSA-N
XLogP1.18
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.79
LogP ≤ 51.18
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] 4-ethoxybenzoate
CID 2563718
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 2482620
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate
CID 7522974
[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 2-chloropyridine-4-carboxylate
CID 33240471
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate
CID 23971506
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate
CID 71823348
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate
CID 23831358
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate
CID 24524517
dimethyl 5-[[2-(4-sulfamoylbenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 55312802
[2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate
CID 2389466
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloro-5-nitrobenzoate
CID 5065869

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloropyridine-4-carboxylate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloropyridine-4-carboxylate (CID 24524541) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloropyridine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloropyridine-4-carboxylate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloropyridine-4-carboxylate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccnc(Cl)c2)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloropyridine-4-carboxylate?
The InChIKey is PFBHBGNIXQNKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O5S/c15-12-7-9(5-6-17-12)14(20)23-8-13(19)18-10-1-3-11(4-2-10)24(16,21)22/h1-7H,8H2,(H,18,19)(H2,16,21,22).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloropyridine-4-carboxylate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloropyridine-4-carboxylate has a molecular weight of 369.79 g/mol, XLogP of 1.18, 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] 2-chloropyridine-4-carboxylate is sourced from PubChem (CID 24524541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).