[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate

C19H18ClN5O5S — CID 4831663

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3cccc(S(N)(=O)=O)c3)n2)n1
InChIInChI=1S/C19H18ClN5O5S/c1-11-8-12(2)25(24-11)16-7-6-15(20)18(23-16)19(27)30-10-17(26)22-13-4-3-5-14(9-13)31(21,28)29/h3-9H,10H2,1-2H3,(H,22,26)(H2,21,28,29)
InChIKeyVWIDGGYKPJGVRL-UHFFFAOYSA-N
MW463.90 g/mol
LogP1.98
Rot. Bonds6

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate (PubChem CID 4831663) has the molecular formula C19H18ClN5O5S and a molecular weight of 463.90 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
PubChem CID4831663
Molecular FormulaC19H18ClN5O5S
Molecular Weight463.90 g/mol
Exact Mass463.07
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3cccc(S(N)(=O)=O)c3)n2)n1
InChIInChI=1S/C19H18ClN5O5S/c1-11-8-12(2)25(24-11)16-7-6-15(20)18(23-16)19(27)30-10-17(26)22-13-4-3-5-14(9-13)31(21,28)29/h3-9H,10H2,1-2H3,(H,22,26)(H2,21,28,29)
InChIKeyVWIDGGYKPJGVRL-UHFFFAOYSA-N
XLogP1.98
TPSA146.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.90
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate (CID 4831663) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3cccc(S(N)(=O)=O)c3)n2)n1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?
The InChIKey is VWIDGGYKPJGVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O5S/c1-11-8-12(2)25(24-11)16-7-6-15(20)18(23-16)19(27)30-10-17(26)22-13-4-3-5-14(9-13)31(21,28)29/h3-9H,10H2,1-2H3,(H,22,26)(H2,21,28,29).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate has a molecular weight of 463.90 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 4831663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).