2,5-dimethyl-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide

C18H22N4O4S — CID 108565930

IUPAC2,5-dimethyl-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)c1
InChIInChI=1S/C18H22N4O4S/c1-12-3-4-13(2)16(11-12)27(25,26)21-14-7-9-22(10-8-14)18(24)15-5-6-17(23)20-19-15/h3-6,11,14,21H,7-10H2,1-2H3,(H,20,23)
InChIKeyJINBIOVMWURMDG-UHFFFAOYSA-N
MW390.47 g/mol
LogP0.97
Rot. Bonds4

About 2,5-dimethyl-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide

2,5-dimethyl-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 108565930) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
PubChem CID108565930
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name2,5-dimethyl-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)c1
InChIInChI=1S/C18H22N4O4S/c1-12-3-4-13(2)16(11-12)27(25,26)21-14-7-9-22(10-8-14)18(24)15-5-6-17(23)20-19-15/h3-6,11,14,21H,7-10H2,1-2H3,(H,20,23)
InChIKeyJINBIOVMWURMDG-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-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561709
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide
CID 108563470
2,5-dimethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567274
2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide
CID 108553006
N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 17456820
2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566075
3-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110483200
4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
CID 32506646
4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 46380415
2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108566045
4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
CID 108550523
methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821783

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide (CID 108565930) is 2,5-dimethyl-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)c1.
What is the InChIKey of 2,5-dimethyl-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is JINBIOVMWURMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-12-3-4-13(2)16(11-12)27(25,26)21-14-7-9-22(10-8-14)18(24)15-5-6-17(23)20-19-15/h3-6,11,14,21H,7-10H2,1-2H3,(H,20,23).
What are the key properties of 2,5-dimethyl-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
2,5-dimethyl-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide 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 2,5-dimethyl-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 108565930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).