1-[(2-chloro-3-pyridinyl)sulfonyl]-8-fluoro-3,4-dihydro-2H-quinoline

C14H12ClFN2O2S — CID 24656598

IUPAC1-[(2-chloro-3-pyridinyl)sulfonyl]-8-fluoro-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1cccnc1Cl)N1CCCc2cccc(F)c21
InChIInChI=1S/C14H12ClFN2O2S/c15-14-12(7-2-8-17-14)21(19,20)18-9-3-5-10-4-1-6-11(16)13(10)18/h1-2,4,6-8H,3,5,9H2
InChIKeyQKPMSXUFQJCHFC-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.02
Rot. Bonds2

About 1-[(2-chloro-3-pyridinyl)sulfonyl]-8-fluoro-3,4-dihydro-2H-quinoline

1-[(2-chloro-3-pyridinyl)sulfonyl]-8-fluoro-3,4-dihydro-2H-quinoline (PubChem CID 24656598) has the molecular formula C14H12ClFN2O2S and a molecular weight of 326.78 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)sulfonyl]-8-fluoro-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)sulfonyl]-8-fluoro-3,4-dihydro-2H-quinoline
PubChem CID24656598
Molecular FormulaC14H12ClFN2O2S
Molecular Weight326.78 g/mol
Exact Mass326.03
IUPAC Name1-[(2-chloro-3-pyridinyl)sulfonyl]-8-fluoro-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1cccnc1Cl)N1CCCc2cccc(F)c21
InChIInChI=1S/C14H12ClFN2O2S/c15-14-12(7-2-8-17-14)21(19,20)18-9-3-5-10-4-1-6-11(16)13(10)18/h1-2,4,6-8H,3,5,9H2
InChIKeyQKPMSXUFQJCHFC-UHFFFAOYSA-N
XLogP3.02
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[(2-chloro-3-pyridinyl)sulfonyl]-8-fluoro-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-8-fluoro-3,4-dihydro-2H-quinoline (CID 24656598) is 1-[(2-chloro-3-pyridinyl)sulfonyl]-8-fluoro-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)sulfonyl]-8-fluoro-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)sulfonyl]-8-fluoro-3,4-dihydro-2H-quinoline is O=S(=O)(c1cccnc1Cl)N1CCCc2cccc(F)c21.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)sulfonyl]-8-fluoro-3,4-dihydro-2H-quinoline?
The InChIKey is QKPMSXUFQJCHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2S/c15-14-12(7-2-8-17-14)21(19,20)18-9-3-5-10-4-1-6-11(16)13(10)18/h1-2,4,6-8H,3,5,9H2.
What are the key properties of 1-[(2-chloro-3-pyridinyl)sulfonyl]-8-fluoro-3,4-dihydro-2H-quinoline?
1-[(2-chloro-3-pyridinyl)sulfonyl]-8-fluoro-3,4-dihydro-2H-quinoline has a molecular weight of 326.78 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)sulfonyl]-8-fluoro-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 24656598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).