4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-1,3-dihydroquinoxalin-2-one

C16H12N4O4S2 — CID 20970033

IUPAC4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c2ccccc2N1
InChIInChI=1S/C16H12N4O4S2/c21-14-7-5-11(18-19-14)13-6-8-16(25-13)26(23,24)20-9-15(22)17-10-3-1-2-4-12(10)20/h1-8H,9H2,(H,17,22)(H,19,21)
InChIKeyJBENAANFTPFHKX-UHFFFAOYSA-N
MW388.43 g/mol
LogP1.65
Rot. Bonds3

About 4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-1,3-dihydroquinoxalin-2-one

4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 20970033) has the molecular formula C16H12N4O4S2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID20970033
Molecular FormulaC16H12N4O4S2
Molecular Weight388.43 g/mol
Exact Mass388.03
IUPAC Name4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c2ccccc2N1
InChIInChI=1S/C16H12N4O4S2/c21-14-7-5-11(18-19-14)13-6-8-16(25-13)26(23,24)20-9-15(22)17-10-3-1-2-4-12(10)20/h1-8H,9H2,(H,17,22)(H,19,21)
InChIKeyJBENAANFTPFHKX-UHFFFAOYSA-N
XLogP1.65
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-Difluorophenyl)-1-{[5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophen-2-YL]sulfonyl}pyrrolidine-2-carboxamide
CID 20926922
2-[N-Methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]-N-(2-methylphenyl)acetamide
CID 20926912
N-(2-Ethylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926906
N-(4-(N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)sulfamoyl)phenyl)propionamide
CID 16905829
6-{5-[(4-Phenylpiperazin-1-YL)sulfonyl]thiophen-2-YL}-2,3-dihydropyridazin-3-one
CID 20923024
6-[5-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)thien-2-yl]pyridazin-3(2H)-one
CID 20923032
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923083
6-(5-{[4-(4-Fluorophenyl)piperazin-1-YL]sulfonyl}thiophen-2-YL)-2,3-dihydropyridazin-3-one
CID 20939792
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20939811
N-(2-fluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-propylthiophene-2-sulfonamide
CID 20939816
N-(4-Fluorophenyl)-1-{[5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophen-2-YL]sulfonyl}piperidine-3-carboxamide
CID 46281809
N-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide
CID 46281813

Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-1,3-dihydroquinoxalin-2-one (CID 20970033) is 4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-1,3-dihydroquinoxalin-2-one is O=C1CN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c2ccccc2N1.
What is the InChIKey of 4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is JBENAANFTPFHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4S2/c21-14-7-5-11(18-19-14)13-6-8-16(25-13)26(23,24)20-9-15(22)17-10-3-1-2-4-12(10)20/h1-8H,9H2,(H,17,22)(H,19,21).
What are the key properties of 4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-1,3-dihydroquinoxalin-2-one?
4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 388.43 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 20970033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).