N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

C18H22N4O4S — CID 108561709

IUPACN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)c3ccc(=O)[nH]n3)CC2)c1
InChIInChI=1S/C18H22N4O4S/c1-12-3-4-13(2)16(11-12)27(25,26)22-9-7-14(8-10-22)19-18(24)15-5-6-17(23)21-20-15/h3-6,11,14H,7-10H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyPJTSEDHZCFSNKJ-UHFFFAOYSA-N
MW390.47 g/mol
LogP0.97
Rot. Bonds4

About N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 108561709) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID108561709
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)c3ccc(=O)[nH]n3)CC2)c1
InChIInChI=1S/C18H22N4O4S/c1-12-3-4-13(2)16(11-12)27(25,26)22-9-7-14(8-10-22)19-18(24)15-5-6-17(23)21-20-15/h3-6,11,14H,7-10H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyPJTSEDHZCFSNKJ-UHFFFAOYSA-N
XLogP0.97
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561738
N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561707
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide
CID 108562768
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide
CID 108562425
6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 46456038
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561718
2,5-dimethyl-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108565930
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 108559603
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
CID 108559576
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980300
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559999
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559242

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 108561709) is N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is Cc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)c3ccc(=O)[nH]n3)CC2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is PJTSEDHZCFSNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-12-3-4-13(2)16(11-12)27(25,26)22-9-7-14(8-10-22)19-18(24)15-5-6-17(23)21-20-15/h3-6,11,14H,7-10H2,1-2H3,(H,19,24)(H,21,23).
What are the key properties of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 108561709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).