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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Related Compounds

8-Quinolinesulfonamide
CID 94464
3-[1-(4-Chlorophenyl)sulfonylpiperidin-2-yl]pyridine
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KM11060
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N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide
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1-(4-Chloro-benzenesulfonyl)-4-pyridin-3-ylmethyl-piperazine
CID 600536
N1-{3-[2-(2-pyridyl)ethyl]phenyl}-4-chlorobenzene-1-sulfonamide
CID 2807131
6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2433221
4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 710402
6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide
CID 1236939
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
3-{1-[(4-Chlorophenyl)sulfonyl]-2-pyrrolidinyl}pyridine
CID 2738276
3-[1-(2,4-Dichlorophenyl)sulfonyl-2-pyrrolidinyl]pyridine
CID 2805684

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).