3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one

C16H18N4O5S — CID 2031185

IUPAC3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)cc1
InChIInChI=1S/C16H18N4O5S/c1-25-12-2-4-13(5-3-12)26(23,24)20-10-8-19(9-11-20)16(22)14-6-7-15(21)18-17-14/h2-7H,8-11H2,1H3,(H,18,21)
InChIKeyUSFBQGYZFJBQSZ-UHFFFAOYSA-N
MW378.41 g/mol
LogP-0.07
Rot. Bonds4

About 3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one

3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 2031185) has the molecular formula C16H18N4O5S and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID2031185
Molecular FormulaC16H18N4O5S
Molecular Weight378.41 g/mol
Exact Mass378.10
IUPAC Name3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)cc1
InChIInChI=1S/C16H18N4O5S/c1-25-12-2-4-13(5-3-12)26(23,24)20-10-8-19(9-11-20)16(22)14-6-7-15(21)18-17-14/h2-7H,8-11H2,1H3,(H,18,21)
InChIKeyUSFBQGYZFJBQSZ-UHFFFAOYSA-N
XLogP-0.07
TPSA112.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 162633164
3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 32823096
3-[4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 91629403
3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110814587
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110646184
(5-methyl-1H-pyrazol-3-yl)-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110328631
3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 110804798
(3-aminopyrazin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 18274312
3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110804369
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119265572
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 110328605

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one (CID 2031185) is 3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is USFBQGYZFJBQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S/c1-25-12-2-4-13(5-3-12)26(23,24)20-10-8-19(9-11-20)16(22)14-6-7-15(21)18-17-14/h2-7H,8-11H2,1H3,(H,18,21).
What are the key properties of 3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one?
3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 378.41 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 2031185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).