(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide

C9H12N4O3S — CID 168683247

IUPAC(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccnnc2)C1
InChIInChI=1S/C9H12N4O3S/c10-17(15,16)6-7-3-9(14)13(5-7)8-1-2-11-12-4-8/h1-2,4,7H,3,5-6H2,(H2,10,15,16)
InChIKeyDFEFWHUMZYTING-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.88
Rot. Bonds3

About (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide

(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide (PubChem CID 168683247) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
PubChem CID168683247
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC Name(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccnnc2)C1
InChIInChI=1S/C9H12N4O3S/c10-17(15,16)6-7-3-9(14)13(5-7)8-1-2-11-12-4-8/h1-2,4,7H,3,5-6H2,(H2,10,15,16)
InChIKeyDFEFWHUMZYTING-UHFFFAOYSA-N
XLogP-0.88
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677760
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[1-(2-fluoro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683056
[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682592
1-pyridazin-4-yl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672252
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190
[1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680793
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795
[1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681755
[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683033
[1-(3,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682505
[1-(1H-indazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682542

Frequently Asked Questions

What is the IUPAC name of (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide (CID 168683247) is (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2ccnnc2)C1.
What is the InChIKey of (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide?
The InChIKey is DFEFWHUMZYTING-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c10-17(15,16)6-7-3-9(14)13(5-7)8-1-2-11-12-4-8/h1-2,4,7H,3,5-6H2,(H2,10,15,16).
What are the key properties of (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide?
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide has a molecular weight of 256.29 g/mol, XLogP of -0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 168683247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).