N-[6-[(E)-prop-1-enyl]pyridazin-3-yl]methanesulfonamide

C8H11N3O2S — CID 59156662

IUPACN-[6-[(E)-prop-1-enyl]pyridazin-3-yl]methanesulfonamide
SMILESC/C=C/c1ccc(NS(C)(=O)=O)nn1
InChIInChI=1S/C8H11N3O2S/c1-3-4-7-5-6-8(10-9-7)11-14(2,12)13/h3-6H,1-2H3,(H,10,11)/b4-3+
InChIKeyYEQXXXLVYBNHIM-ONEGZZNKSA-N
MW213.26 g/mol
LogP0.88
Rot. Bonds3

About N-[6-[(E)-prop-1-enyl]pyridazin-3-yl]methanesulfonamide

N-[6-[(E)-prop-1-enyl]pyridazin-3-yl]methanesulfonamide (PubChem CID 59156662) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-[6-[(E)-prop-1-enyl]pyridazin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[(E)-prop-1-enyl]pyridazin-3-yl]methanesulfonamide
PubChem CID59156662
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC NameN-[6-[(E)-prop-1-enyl]pyridazin-3-yl]methanesulfonamide
SMILESC/C=C/c1ccc(NS(C)(=O)=O)nn1
InChIInChI=1S/C8H11N3O2S/c1-3-4-7-5-6-8(10-9-7)11-14(2,12)13/h3-6H,1-2H3,(H,10,11)/b4-3+
InChIKeyYEQXXXLVYBNHIM-ONEGZZNKSA-N
XLogP0.88
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(E)-prop-1-enyl]pyridazin-3-yl]methanesulfonamide?
The IUPAC name of N-[6-[(E)-prop-1-enyl]pyridazin-3-yl]methanesulfonamide (CID 59156662) is N-[6-[(E)-prop-1-enyl]pyridazin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[6-[(E)-prop-1-enyl]pyridazin-3-yl]methanesulfonamide?
The canonical SMILES for N-[6-[(E)-prop-1-enyl]pyridazin-3-yl]methanesulfonamide is C/C=C/c1ccc(NS(C)(=O)=O)nn1.
What is the InChIKey of N-[6-[(E)-prop-1-enyl]pyridazin-3-yl]methanesulfonamide?
The InChIKey is YEQXXXLVYBNHIM-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-3-4-7-5-6-8(10-9-7)11-14(2,12)13/h3-6H,1-2H3,(H,10,11)/b4-3+.
What are the key properties of N-[6-[(E)-prop-1-enyl]pyridazin-3-yl]methanesulfonamide?
N-[6-[(E)-prop-1-enyl]pyridazin-3-yl]methanesulfonamide has a molecular weight of 213.26 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(E)-prop-1-enyl]pyridazin-3-yl]methanesulfonamide is sourced from PubChem (CID 59156662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).