N-(pyridazin-3-ylmethyl)methanesulfonamide

C6H9N3O2S — CID 68971993

IUPACN-(pyridazin-3-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCc1cccnn1
InChIInChI=1S/C6H9N3O2S/c1-12(10,11)8-5-6-3-2-4-7-9-6/h2-4,8H,5H2,1H3
InChIKeySJBQLSLNEKUFJM-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.47
Rot. Bonds3

About N-(pyridazin-3-ylmethyl)methanesulfonamide

N-(pyridazin-3-ylmethyl)methanesulfonamide (PubChem CID 68971993) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is N-(pyridazin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(pyridazin-3-ylmethyl)methanesulfonamide
PubChem CID68971993
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC NameN-(pyridazin-3-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCc1cccnn1
InChIInChI=1S/C6H9N3O2S/c1-12(10,11)8-5-6-3-2-4-7-9-6/h2-4,8H,5H2,1H3
InChIKeySJBQLSLNEKUFJM-UHFFFAOYSA-N
XLogP-0.47
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridazin-3-ylmethyl)methanesulfonamide?
The IUPAC name of N-(pyridazin-3-ylmethyl)methanesulfonamide (CID 68971993) is N-(pyridazin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(pyridazin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(pyridazin-3-ylmethyl)methanesulfonamide is CS(=O)(=O)NCc1cccnn1.
What is the InChIKey of N-(pyridazin-3-ylmethyl)methanesulfonamide?
The InChIKey is SJBQLSLNEKUFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-12(10,11)8-5-6-3-2-4-7-9-6/h2-4,8H,5H2,1H3.
What are the key properties of N-(pyridazin-3-ylmethyl)methanesulfonamide?
N-(pyridazin-3-ylmethyl)methanesulfonamide has a molecular weight of 187.22 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridazin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 68971993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).