[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-chloropyridine-3-carboxylate

C15H14ClN3O5S — CID 3254239

IUPAC[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-chloropyridine-3-carboxylate
SMILESCC(OC(=O)c1cccnc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H14ClN3O5S/c1-9(24-15(21)12-3-2-8-18-13(12)16)14(20)19-10-4-6-11(7-5-10)25(17,22)23/h2-9H,1H3,(H,19,20)(H2,17,22,23)
InChIKeyWPDZIPOGPNYAEV-UHFFFAOYSA-N
MW383.81 g/mol
LogP1.57
Rot. Bonds5

About [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-chloropyridine-3-carboxylate

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-chloropyridine-3-carboxylate (PubChem CID 3254239) has the molecular formula C15H14ClN3O5S and a molecular weight of 383.81 g/mol. Its IUPAC name is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-chloropyridine-3-carboxylate
PubChem CID3254239
Molecular FormulaC15H14ClN3O5S
Molecular Weight383.81 g/mol
Exact Mass383.03
IUPAC Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-chloropyridine-3-carboxylate
SMILESCC(OC(=O)c1cccnc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H14ClN3O5S/c1-9(24-15(21)12-3-2-8-18-13(12)16)14(20)19-10-4-6-11(7-5-10)25(17,22)23/h2-9H,1H3,(H,19,20)(H2,17,22,23)
InChIKeyWPDZIPOGPNYAEV-UHFFFAOYSA-N
XLogP1.57
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 51.57
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

{[(4-Fluorophenyl)methyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate
CID 2099259
[Phenyl(propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 2371306
[(4-Cyanophenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 2428126
[2-(Tert-butylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2432404
Methyl 2-[(6-chloropyridin-3-yl)sulfonylamino]benzoate
CID 2520612
[1-(Tert-butylamino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate
CID 3227640
[Cyclohexyl(methyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 3693761
[(4-Phenylbutan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 4142818
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 4246418
{[(Oxolan-2-yl)methyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate
CID 4425190
[2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 5048414
Nicotinic acid (3-chloro-phenylcarbamoyl)-methyl ester
CID 653526

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-chloropyridine-3-carboxylate?
The IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-chloropyridine-3-carboxylate (CID 3254239) is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-chloropyridine-3-carboxylate.
What is the SMILES notation for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-chloropyridine-3-carboxylate?
The canonical SMILES for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-chloropyridine-3-carboxylate is CC(OC(=O)c1cccnc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-chloropyridine-3-carboxylate?
The InChIKey is WPDZIPOGPNYAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O5S/c1-9(24-15(21)12-3-2-8-18-13(12)16)14(20)19-10-4-6-11(7-5-10)25(17,22)23/h2-9H,1H3,(H,19,20)(H2,17,22,23).
What are the key properties of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-chloropyridine-3-carboxylate?
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-chloropyridine-3-carboxylate has a molecular weight of 383.81 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-chloropyridine-3-carboxylate is sourced from PubChem (CID 3254239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).