6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

C14H17ClN4O4S2 — CID 27768794

IUPAC6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCC1=O
InChIInChI=1S/C14H17ClN4O4S2/c1-17-12(20)4-2-10(16-17)14(21)18-6-8-19(9-7-18)25(22,23)13-5-3-11(15)24-13/h3,5H,2,4,6-9H2,1H3
InChIKeyGWFVLSOJOIOQDA-UHFFFAOYSA-N
MW404.90 g/mol
LogP0.84
Rot. Bonds3

About 6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (PubChem CID 27768794) has the molecular formula C14H17ClN4O4S2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
PubChem CID27768794
Molecular FormulaC14H17ClN4O4S2
Molecular Weight404.90 g/mol
Exact Mass404.04
IUPAC Name6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCC1=O
InChIInChI=1S/C14H17ClN4O4S2/c1-17-12(20)4-2-10(16-17)14(21)18-6-8-19(9-7-18)25(22,23)13-5-3-11(15)24-13/h3,5H,2,4,6-9H2,1H3
InChIKeyGWFVLSOJOIOQDA-UHFFFAOYSA-N
XLogP0.84
TPSA90.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one with MolForge

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Related Compounds

6-[4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 17482980
2-methyl-6-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 24545341
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110805258
6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 55557861
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 2971243
(2-chloro-5-methylsulfanylphenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 27768652
6-(4-acetylpiperazine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one
CID 47016916
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one
CID 78773434
[4-(aminomethyl)phenyl]-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 119268885
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 7944521
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801006
(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 6470865

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (CID 27768794) is 6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is CN1N=C(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCC1=O.
What is the InChIKey of 6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The InChIKey is GWFVLSOJOIOQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O4S2/c1-17-12(20)4-2-10(16-17)14(21)18-6-8-19(9-7-18)25(22,23)13-5-3-11(15)24-13/h3,5H,2,4,6-9H2,1H3.
What are the key properties of 6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one has a molecular weight of 404.90 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 27768794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).