N-(2-methyl-3-oxopyridazin-4-yl)methanesulfonamide

C6H9N3O3S — CID 90974866

IUPACN-(2-methyl-3-oxopyridazin-4-yl)methanesulfonamide
SMILESCn1nccc(NS(C)(=O)=O)c1=O
InChIInChI=1S/C6H9N3O3S/c1-9-6(10)5(3-4-7-9)8-13(2,11)12/h3-4,8H,1-2H3
InChIKeyCYWFVRMNFWOQLQ-UHFFFAOYSA-N
MW203.22 g/mol
LogP-0.85
Rot. Bonds2

About N-(2-methyl-3-oxopyridazin-4-yl)methanesulfonamide

N-(2-methyl-3-oxopyridazin-4-yl)methanesulfonamide (PubChem CID 90974866) has the molecular formula C6H9N3O3S and a molecular weight of 203.22 g/mol. Its IUPAC name is N-(2-methyl-3-oxopyridazin-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxopyridazin-4-yl)methanesulfonamide
PubChem CID90974866
Molecular FormulaC6H9N3O3S
Molecular Weight203.22 g/mol
Exact Mass203.04
IUPAC NameN-(2-methyl-3-oxopyridazin-4-yl)methanesulfonamide
SMILESCn1nccc(NS(C)(=O)=O)c1=O
InChIInChI=1S/C6H9N3O3S/c1-9-6(10)5(3-4-7-9)8-13(2,11)12/h3-4,8H,1-2H3
InChIKeyCYWFVRMNFWOQLQ-UHFFFAOYSA-N
XLogP-0.85
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxopyridazin-4-yl)methanesulfonamide?
The IUPAC name of N-(2-methyl-3-oxopyridazin-4-yl)methanesulfonamide (CID 90974866) is N-(2-methyl-3-oxopyridazin-4-yl)methanesulfonamide.
What is the SMILES notation for N-(2-methyl-3-oxopyridazin-4-yl)methanesulfonamide?
The canonical SMILES for N-(2-methyl-3-oxopyridazin-4-yl)methanesulfonamide is Cn1nccc(NS(C)(=O)=O)c1=O.
What is the InChIKey of N-(2-methyl-3-oxopyridazin-4-yl)methanesulfonamide?
The InChIKey is CYWFVRMNFWOQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3S/c1-9-6(10)5(3-4-7-9)8-13(2,11)12/h3-4,8H,1-2H3.
What are the key properties of N-(2-methyl-3-oxopyridazin-4-yl)methanesulfonamide?
N-(2-methyl-3-oxopyridazin-4-yl)methanesulfonamide has a molecular weight of 203.22 g/mol, XLogP of -0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxopyridazin-4-yl)methanesulfonamide is sourced from PubChem (CID 90974866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).