2-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide

C16H19ClN4O2S — CID 113045122

IUPAC2-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
SMILESCC1CCCN(c2ccc(NS(=O)(=O)c3ccccc3Cl)nn2)C1
InChIInChI=1S/C16H19ClN4O2S/c1-12-5-4-10-21(11-12)16-9-8-15(18-19-16)20-24(22,23)14-7-3-2-6-13(14)17/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,18,20)
InChIKeyAVXMOKGXZSISKX-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.17
Rot. Bonds4

About 2-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide

2-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113045122) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
PubChem CID113045122
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC Name2-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
SMILESCC1CCCN(c2ccc(NS(=O)(=O)c3ccccc3Cl)nn2)C1
InChIInChI=1S/C16H19ClN4O2S/c1-12-5-4-10-21(11-12)16-9-8-15(18-19-16)20-24(22,23)14-7-3-2-6-13(14)17/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,18,20)
InChIKeyAVXMOKGXZSISKX-UHFFFAOYSA-N
XLogP3.17
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113039063
3,5-dimethyl-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-1,2-oxazole-4-sulfonamide
CID 113045115
N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]cyclopropanecarboxamide
CID 113045004
2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide
CID 16942206
3-[(2-chlorophenyl)sulfonylamino]-4-(3-methylpiperidin-1-yl)benzoic acid
CID 46292374
N-(2,3-dichlorophenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109126021
3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113045045
N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124840
N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-3-phenoxypropanamide
CID 113045043
N-(6-pyrrolidin-1-ylpyridazin-3-yl)propane-1-sulfonamide
CID 113038761
2-(3-methylphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045060
N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109117891

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide (CID 113045122) is 2-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide is CC1CCCN(c2ccc(NS(=O)(=O)c3ccccc3Cl)nn2)C1.
What is the InChIKey of 2-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is AVXMOKGXZSISKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c1-12-5-4-10-21(11-12)16-9-8-15(18-19-16)20-24(22,23)14-7-3-2-6-13(14)17/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide?
2-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 366.87 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113045122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).