N-[3-methoxy-4-(6-oxo-5,7-dihydro-1H-imidazo[4,5-c]pyridazin-2-yl)phenyl]methanesulfonamide

C13H15N5O4S — CID 70483146

IUPACN-[3-methoxy-4-(6-oxo-5,7-dihydro-1H-imidazo[4,5-c]pyridazin-2-yl)phenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1N1C=Cc2[nH]c(=O)[nH]c2N1
InChIInChI=1S/C13H15N5O4S/c1-22-11-7-8(17-23(2,20)21)3-4-10(11)18-6-5-9-12(16-18)15-13(19)14-9/h3-7,16-17H,1-2H3,(H2,14,15,19)
InChIKeyOMBPLKFGOKNVKQ-UHFFFAOYSA-N
MW337.36 g/mol
LogP0.90
Rot. Bonds4

About N-[3-methoxy-4-(6-oxo-5,7-dihydro-1H-imidazo[4,5-c]pyridazin-2-yl)phenyl]methanesulfonamide

N-[3-methoxy-4-(6-oxo-5,7-dihydro-1H-imidazo[4,5-c]pyridazin-2-yl)phenyl]methanesulfonamide (PubChem CID 70483146) has the molecular formula C13H15N5O4S and a molecular weight of 337.36 g/mol. Its IUPAC name is N-[3-methoxy-4-(6-oxo-5,7-dihydro-1H-imidazo[4,5-c]pyridazin-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(6-oxo-5,7-dihydro-1H-imidazo[4,5-c]pyridazin-2-yl)phenyl]methanesulfonamide
PubChem CID70483146
Molecular FormulaC13H15N5O4S
Molecular Weight337.36 g/mol
Exact Mass337.08
IUPAC NameN-[3-methoxy-4-(6-oxo-5,7-dihydro-1H-imidazo[4,5-c]pyridazin-2-yl)phenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1N1C=Cc2[nH]c(=O)[nH]c2N1
InChIInChI=1S/C13H15N5O4S/c1-22-11-7-8(17-23(2,20)21)3-4-10(11)18-6-5-9-12(16-18)15-13(19)14-9/h3-7,16-17H,1-2H3,(H2,14,15,19)
InChIKeyOMBPLKFGOKNVKQ-UHFFFAOYSA-N
XLogP0.90
TPSA119.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(6-oxo-5,7-dihydro-1H-imidazo[4,5-c]pyridazin-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-methoxy-4-(6-oxo-5,7-dihydro-1H-imidazo[4,5-c]pyridazin-2-yl)phenyl]methanesulfonamide (CID 70483146) is N-[3-methoxy-4-(6-oxo-5,7-dihydro-1H-imidazo[4,5-c]pyridazin-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-methoxy-4-(6-oxo-5,7-dihydro-1H-imidazo[4,5-c]pyridazin-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-methoxy-4-(6-oxo-5,7-dihydro-1H-imidazo[4,5-c]pyridazin-2-yl)phenyl]methanesulfonamide is COc1cc(NS(C)(=O)=O)ccc1N1C=Cc2[nH]c(=O)[nH]c2N1.
What is the InChIKey of N-[3-methoxy-4-(6-oxo-5,7-dihydro-1H-imidazo[4,5-c]pyridazin-2-yl)phenyl]methanesulfonamide?
The InChIKey is OMBPLKFGOKNVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O4S/c1-22-11-7-8(17-23(2,20)21)3-4-10(11)18-6-5-9-12(16-18)15-13(19)14-9/h3-7,16-17H,1-2H3,(H2,14,15,19).
What are the key properties of N-[3-methoxy-4-(6-oxo-5,7-dihydro-1H-imidazo[4,5-c]pyridazin-2-yl)phenyl]methanesulfonamide?
N-[3-methoxy-4-(6-oxo-5,7-dihydro-1H-imidazo[4,5-c]pyridazin-2-yl)phenyl]methanesulfonamide has a molecular weight of 337.36 g/mol, XLogP of 0.90, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(6-oxo-5,7-dihydro-1H-imidazo[4,5-c]pyridazin-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 70483146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).