6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide

C12H17ClN4O3S — CID 61249649

IUPAC6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)c2ccc(Cl)nn2)CC1
InChIInChI=1S/C12H17ClN4O3S/c1-2-21(19,20)17-7-5-9(6-8-17)14-12(18)10-3-4-11(13)16-15-10/h3-4,9H,2,5-8H2,1H3,(H,14,18)
InChIKeyRBGILRFBUAIJOM-UHFFFAOYSA-N
MW332.81 g/mol
LogP0.67
Rot. Bonds4

About 6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide

6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide (PubChem CID 61249649) has the molecular formula C12H17ClN4O3S and a molecular weight of 332.81 g/mol. Its IUPAC name is 6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide
PubChem CID61249649
Molecular FormulaC12H17ClN4O3S
Molecular Weight332.81 g/mol
Exact Mass332.07
IUPAC Name6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)c2ccc(Cl)nn2)CC1
InChIInChI=1S/C12H17ClN4O3S/c1-2-21(19,20)17-7-5-9(6-8-17)14-12(18)10-3-4-11(13)16-15-10/h3-4,9H,2,5-8H2,1H3,(H,14,18)
InChIKeyRBGILRFBUAIJOM-UHFFFAOYSA-N
XLogP0.67
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
6-chloro-N-cyclobutylpyridazine-3-carboxamide
CID 62416339
6-bromo-N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 103916664
N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide
CID 127667132
6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 46456038
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide
CID 60858694
6-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridazine-3-carboxamide
CID 64669604
N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062
2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 46455913
2-(2-aminoethyl)-N-(1-ethylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619837
2-ethylsulfinyl-N-(1-ethylsulfonylpiperidin-4-yl)benzamide
CID 42883511
6-chloro-3-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 170610856

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide (CID 61249649) is 6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide is CCS(=O)(=O)N1CCC(NC(=O)c2ccc(Cl)nn2)CC1.
What is the InChIKey of 6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide?
The InChIKey is RBGILRFBUAIJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O3S/c1-2-21(19,20)17-7-5-9(6-8-17)14-12(18)10-3-4-11(13)16-15-10/h3-4,9H,2,5-8H2,1H3,(H,14,18).
What are the key properties of 6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide?
6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide has a molecular weight of 332.81 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 61249649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).