1-pyridazin-3-ylsulfonyl-3,4,4a,5-tetrahydro-2H-quinoline

C13H15N3O2S — CID 86589093

IUPAC1-pyridazin-3-ylsulfonyl-3,4,4a,5-tetrahydro-2H-quinoline
SMILESO=S(=O)(c1cccnn1)N1CCCC2CC=CC=C21
InChIInChI=1S/C13H15N3O2S/c17-19(18,13-8-3-9-14-15-13)16-10-4-6-11-5-1-2-7-12(11)16/h1-3,7-9,11H,4-6,10H2
InChIKeySNHNLPNXWYDXGO-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.72
Rot. Bonds2

About 1-pyridazin-3-ylsulfonyl-3,4,4a,5-tetrahydro-2H-quinoline

1-pyridazin-3-ylsulfonyl-3,4,4a,5-tetrahydro-2H-quinoline (PubChem CID 86589093) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-pyridazin-3-ylsulfonyl-3,4,4a,5-tetrahydro-2H-quinoline.

Molecular Properties

Compound Name1-pyridazin-3-ylsulfonyl-3,4,4a,5-tetrahydro-2H-quinoline
PubChem CID86589093
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name1-pyridazin-3-ylsulfonyl-3,4,4a,5-tetrahydro-2H-quinoline
SMILESO=S(=O)(c1cccnn1)N1CCCC2CC=CC=C21
InChIInChI=1S/C13H15N3O2S/c17-19(18,13-8-3-9-14-15-13)16-10-4-6-11-5-1-2-7-12(11)16/h1-3,7-9,11H,4-6,10H2
InChIKeySNHNLPNXWYDXGO-UHFFFAOYSA-N
XLogP1.72
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-3-ylsulfonyl-3,4,4a,5-tetrahydro-2H-quinoline?
The IUPAC name of 1-pyridazin-3-ylsulfonyl-3,4,4a,5-tetrahydro-2H-quinoline (CID 86589093) is 1-pyridazin-3-ylsulfonyl-3,4,4a,5-tetrahydro-2H-quinoline.
What is the SMILES notation for 1-pyridazin-3-ylsulfonyl-3,4,4a,5-tetrahydro-2H-quinoline?
The canonical SMILES for 1-pyridazin-3-ylsulfonyl-3,4,4a,5-tetrahydro-2H-quinoline is O=S(=O)(c1cccnn1)N1CCCC2CC=CC=C21.
What is the InChIKey of 1-pyridazin-3-ylsulfonyl-3,4,4a,5-tetrahydro-2H-quinoline?
The InChIKey is SNHNLPNXWYDXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-19(18,13-8-3-9-14-15-13)16-10-4-6-11-5-1-2-7-12(11)16/h1-3,7-9,11H,4-6,10H2.
What are the key properties of 1-pyridazin-3-ylsulfonyl-3,4,4a,5-tetrahydro-2H-quinoline?
1-pyridazin-3-ylsulfonyl-3,4,4a,5-tetrahydro-2H-quinoline has a molecular weight of 277.35 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-3-ylsulfonyl-3,4,4a,5-tetrahydro-2H-quinoline is sourced from PubChem (CID 86589093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).