3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-pyridazin-6-one

C17H15N3O3S2 — CID 20923032

IUPAC3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(S(=O)(=O)N3CCCc4ccccc43)s2)n[nH]1
InChIInChI=1S/C17H15N3O3S2/c21-16-9-7-13(18-19-16)15-8-10-17(24-15)25(22,23)20-11-3-5-12-4-1-2-6-14(12)20/h1-2,4,6-10H,3,5,11H2,(H,19,21)
InChIKeyYTBZLQXACNMESO-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.64
Rot. Bonds3

About 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-pyridazin-6-one

3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-pyridazin-6-one (PubChem CID 20923032) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-pyridazin-6-one
PubChem CID20923032
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC Name3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(S(=O)(=O)N3CCCc4ccccc43)s2)n[nH]1
InChIInChI=1S/C17H15N3O3S2/c21-16-9-7-13(18-19-16)15-8-10-17(24-15)25(22,23)20-11-3-5-12-4-1-2-6-14(12)20/h1-2,4,6-10H,3,5,11H2,(H,19,21)
InChIKeyYTBZLQXACNMESO-UHFFFAOYSA-N
XLogP2.64
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-Dimethylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926904
N-(2,6-Dimethylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926905
N-(2-Ethylphenyl)-1-{[5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophen-2-YL]sulfonyl}pyrrolidine-2-carboxamide
CID 20926924
N-(2-Ethyl-6-methylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926914
N-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20939814
2-[N-Methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]-N-(2-methylphenyl)acetamide
CID 20926912
5-(6-Oxo-1,6-dihydropyridazin-3-YL)-N-(5,6,7,8-tetrahydronaphthalen-1-YL)thiophene-2-sulfonamide
CID 20923078
N-(2-Ethylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926906
6-{5-[(4-Phenylpiperazin-1-YL)sulfonyl]thiophen-2-YL}-2,3-dihydropyridazin-3-one
CID 20923024
N-[2-(2,3-Dihydro-1H-indol-1-YL)-2-oxoethyl]-N-methyl-5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 20926908
4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-1,3-dihydroquinoxalin-2-one
CID 20970033
N-(4-fluoro-2-methylphenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923065

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-pyridazin-6-one (CID 20923032) is 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-pyridazin-6-one is O=c1ccc(-c2ccc(S(=O)(=O)N3CCCc4ccccc43)s2)n[nH]1.
What is the InChIKey of 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-pyridazin-6-one?
The InChIKey is YTBZLQXACNMESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c21-16-9-7-13(18-19-16)15-8-10-17(24-15)25(22,23)20-11-3-5-12-4-1-2-6-14(12)20/h1-2,4,6-10H,3,5,11H2,(H,19,21).
What are the key properties of 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-pyridazin-6-one?
3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-pyridazin-6-one has a molecular weight of 373.46 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 20923032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).