(6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C10H13ClN4O3S — CID 61042497

IUPAC(6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)nn2)CC1
InChIInChI=1S/C10H13ClN4O3S/c1-19(17,18)15-6-4-14(5-7-15)10(16)8-2-3-9(11)13-12-8/h2-3H,4-7H2,1H3
InChIKeyUELHOSLDTJVIAS-UHFFFAOYSA-N
MW304.76 g/mol
LogP-0.15
Rot. Bonds2

About (6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 61042497) has the molecular formula C10H13ClN4O3S and a molecular weight of 304.76 g/mol. Its IUPAC name is (6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID61042497
Molecular FormulaC10H13ClN4O3S
Molecular Weight304.76 g/mol
Exact Mass304.04
IUPAC Name(6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)nn2)CC1
InChIInChI=1S/C10H13ClN4O3S/c1-19(17,18)15-6-4-14(5-7-15)10(16)8-2-3-9(11)13-12-8/h2-3H,4-7H2,1H3
InChIKeyUELHOSLDTJVIAS-UHFFFAOYSA-N
XLogP-0.15
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 62992096
(6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 106550918
(6-chloropyridazin-3-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 61053224
3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
CID 55025868
(6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 61052571
(6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone
CID 62974873
(6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110678435
(6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408589
5-(4-methylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 60725146
(6-chloropyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 60858865
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-chloropyridazin-3-yl)methanone
CID 60859360
[(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 94178167

Frequently Asked Questions

What is the IUPAC name of (6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 61042497) is (6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)nn2)CC1.
What is the InChIKey of (6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is UELHOSLDTJVIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3S/c1-19(17,18)15-6-4-14(5-7-15)10(16)8-2-3-9(11)13-12-8/h2-3H,4-7H2,1H3.
What are the key properties of (6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 304.76 g/mol, XLogP of -0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 61042497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).