2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide

C18H21N3O4S — CID 53073381

IUPAC2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)NC1CCCCC1
InChIInChI=1S/C18H21N3O4S/c22-16(19-14-7-3-1-4-8-14)13-21-18(23)12-11-17(20-21)26(24,25)15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H,19,22)
InChIKeyUDZJKHNINKGSCK-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.52
Rot. Bonds5

About 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide

2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide (PubChem CID 53073381) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide
PubChem CID53073381
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)NC1CCCCC1
InChIInChI=1S/C18H21N3O4S/c22-16(19-14-7-3-1-4-8-14)13-21-18(23)12-11-17(20-21)26(24,25)15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H,19,22)
InChIKeyUDZJKHNINKGSCK-UHFFFAOYSA-N
XLogP1.52
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-((3-fluorophenyl)sulfonyl)-6-oxopyridazin-1(6H)-yl)-N-isopentylacetamide
CID 52905747
N-{[(R)-perhydro-2-furyl]methyl}[6-oxo-3-(phenylsulfonyl)-1,6-dihydro-1-pyridazinyl]acetamide
CID 52319274
N-cyclohexyl-2-(3-((3-fluorophenyl)sulfonyl)-6-oxopyridazin-1(6H)-yl)acetamide
CID 49668562
N-benzyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073606
N-cyclopentyl-2-[3-(3-fluorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide
CID 53073610
2-[3-(3-Fluorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-[(4-fluorophenyl)methyl]acetamide
CID 53073611
2-[3-[(3-fluorophenyl)sulfonyl]-6-oxopyridazin-1(6H)-yl]acetamide
CID 53073612
2-(2-(4-((4-fluorophenyl)sulfonyl)piperidin-1-yl)-2-oxoethyl)pyridazin-3(2H)-one
CID 71808830
N~1~-[2-(1-cyclohexenyl)ethyl]-2-[3-[(3-fluorophenyl)sulfonyl]-6-oxo-1(6H)-pyridazinyl]acetamide
CID 84222778
N-(Butan-2-YL)-2-[3-(3-fluorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-YL]acetamide
CID 86810342
N-[(2R)-butan-2-yl]-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 97545394
N-[(2S)-butan-2-yl]-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 97545395

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide (CID 53073381) is 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide is O=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)NC1CCCCC1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide?
The InChIKey is UDZJKHNINKGSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c22-16(19-14-7-3-1-4-8-14)13-21-18(23)12-11-17(20-21)26(24,25)15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H,19,22).
What are the key properties of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide?
2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide has a molecular weight of 375.45 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 53073381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).