2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one

C17H22N4O4S2 — CID 38068227

IUPAC2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)ccc1=O
InChIInChI=1S/C17H22N4O4S2/c1-2-3-8-21-15(22)7-6-14(18-21)17(23)19-9-11-20(12-10-19)27(24,25)16-5-4-13-26-16/h4-7,13H,2-3,8-12H2,1H3
InChIKeyNLGJBIOHUKYCMW-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.25
Rot. Bonds6

About 2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one

2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one (PubChem CID 38068227) has the molecular formula C17H22N4O4S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one
PubChem CID38068227
Molecular FormulaC17H22N4O4S2
Molecular Weight410.52 g/mol
Exact Mass410.11
IUPAC Name2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)ccc1=O
InChIInChI=1S/C17H22N4O4S2/c1-2-3-8-21-15(22)7-6-14(18-21)17(23)19-9-11-20(12-10-19)27(24,25)16-5-4-13-26-16/h4-7,13H,2-3,8-12H2,1H3
InChIKeyNLGJBIOHUKYCMW-UHFFFAOYSA-N
XLogP1.25
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-butyl-6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]pyridazin-3-one
CID 55337886
2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one
CID 32530099
2-propyl-6-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one
CID 55614050
2-butyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one
CID 42161962
N,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide
CID 24630476
(4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19279155
methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
CID 9496457
(4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19478969
(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217513
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353
1-butylsulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 6464966
2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one
CID 51327458

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one (CID 38068227) is 2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one is CCCCn1nc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)ccc1=O.
What is the InChIKey of 2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one?
The InChIKey is NLGJBIOHUKYCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S2/c1-2-3-8-21-15(22)7-6-14(18-21)17(23)19-9-11-20(12-10-19)27(24,25)16-5-4-13-26-16/h4-7,13H,2-3,8-12H2,1H3.
What are the key properties of 2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one?
2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one has a molecular weight of 410.52 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 38068227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).