N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide

C12H13N3O3S — CID 16800294

IUPACN-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide
SMILESCn1nc(-c2cccc(NS(C)(=O)=O)c2)ccc1=O
InChIInChI=1S/C12H13N3O3S/c1-15-12(16)7-6-11(13-15)9-4-3-5-10(8-9)14-19(2,17)18/h3-8,14H,1-2H3
InChIKeyCAIKAUUAEACMSW-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.82
Rot. Bonds3

About N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide

N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide (PubChem CID 16800294) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide
PubChem CID16800294
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide
SMILESCn1nc(-c2cccc(NS(C)(=O)=O)c2)ccc1=O
InChIInChI=1S/C12H13N3O3S/c1-15-12(16)7-6-11(13-15)9-4-3-5-10(8-9)14-19(2,17)18/h3-8,14H,1-2H3
InChIKeyCAIKAUUAEACMSW-UHFFFAOYSA-N
XLogP0.82
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide (CID 16800294) is N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide is Cn1nc(-c2cccc(NS(C)(=O)=O)c2)ccc1=O.
What is the InChIKey of N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide?
The InChIKey is CAIKAUUAEACMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-15-12(16)7-6-11(13-15)9-4-3-5-10(8-9)14-19(2,17)18/h3-8,14H,1-2H3.
What are the key properties of N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide?
N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 16800294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).