2-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide

C12H9ClN4O2S — CID 43540237

IUPAC2-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide
SMILESO=S(=O)(Nc1cn[nH]c1)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C12H9ClN4O2S/c13-12-4-1-8-5-10(2-3-11(8)16-12)20(18,19)17-9-6-14-15-7-9/h1-7,17H,(H,14,15)
InChIKeyAQGQBXUILCMNDD-UHFFFAOYSA-N
MW308.75 g/mol
LogP2.41
Rot. Bonds3

About 2-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide

2-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide (PubChem CID 43540237) has the molecular formula C12H9ClN4O2S and a molecular weight of 308.75 g/mol. Its IUPAC name is 2-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide
PubChem CID43540237
Molecular FormulaC12H9ClN4O2S
Molecular Weight308.75 g/mol
Exact Mass308.01
IUPAC Name2-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide
SMILESO=S(=O)(Nc1cn[nH]c1)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C12H9ClN4O2S/c13-12-4-1-8-5-10(2-3-11(8)16-12)20(18,19)17-9-6-14-15-7-9/h1-7,17H,(H,14,15)
InChIKeyAQGQBXUILCMNDD-UHFFFAOYSA-N
XLogP2.41
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide?
The IUPAC name of 2-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide (CID 43540237) is 2-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide?
The canonical SMILES for 2-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide is O=S(=O)(Nc1cn[nH]c1)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide?
The InChIKey is AQGQBXUILCMNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2S/c13-12-4-1-8-5-10(2-3-11(8)16-12)20(18,19)17-9-6-14-15-7-9/h1-7,17H,(H,14,15).
What are the key properties of 2-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide?
2-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide has a molecular weight of 308.75 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide is sourced from PubChem (CID 43540237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).