1-[(6-chloro-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline

C14H13ClN2O2S — CID 822466

IUPAC1-[(6-chloro-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1ccc(Cl)nc1)N1CCCc2ccccc21
InChIInChI=1S/C14H13ClN2O2S/c15-14-8-7-12(10-16-14)20(18,19)17-9-3-5-11-4-1-2-6-13(11)17/h1-2,4,6-8,10H,3,5,9H2
InChIKeyKOHOJAGLEICSJK-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.88
Rot. Bonds2

About 1-[(6-chloro-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline

1-[(6-chloro-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline (PubChem CID 822466) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
PubChem CID822466
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name1-[(6-chloro-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1ccc(Cl)nc1)N1CCCc2ccccc21
InChIInChI=1S/C14H13ClN2O2S/c15-14-8-7-12(10-16-14)20(18,19)17-9-3-5-11-4-1-2-6-13(11)17/h1-2,4,6-8,10H,3,5,9H2
InChIKeyKOHOJAGLEICSJK-UHFFFAOYSA-N
XLogP2.88
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.88
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-[(6-chloro-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline (CID 822466) is 1-[(6-chloro-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline is O=S(=O)(c1ccc(Cl)nc1)N1CCCc2ccccc21.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline?
The InChIKey is KOHOJAGLEICSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c15-14-8-7-12(10-16-14)20(18,19)17-9-3-5-11-4-1-2-6-13(11)17/h1-2,4,6-8,10H,3,5,9H2.
What are the key properties of 1-[(6-chloro-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline?
1-[(6-chloro-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline has a molecular weight of 308.79 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 822466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).