N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide

C12H14N4O2S — CID 113045649

IUPACN-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide
SMILESCc1ccccc1Nc1ccc(NS(C)(=O)=O)nn1
InChIInChI=1S/C12H14N4O2S/c1-9-5-3-4-6-10(9)13-11-7-8-12(15-14-11)16-19(2,17)18/h3-8H,1-2H3,(H,13,14)(H,15,16)
InChIKeyWWLIVACCLAAMMY-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.90
Rot. Bonds4

About N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide

N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide (PubChem CID 113045649) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide
PubChem CID113045649
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide
SMILESCc1ccccc1Nc1ccc(NS(C)(=O)=O)nn1
InChIInChI=1S/C12H14N4O2S/c1-9-5-3-4-6-10(9)13-11-7-8-12(15-14-11)16-19(2,17)18/h3-8H,1-2H3,(H,13,14)(H,15,16)
InChIKeyWWLIVACCLAAMMY-UHFFFAOYSA-N
XLogP1.90
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047098
N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047692
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046608
ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen
CID 143063933
sodium;hydride;N-(2-methylphenyl)methanesulfonamide
CID 173445438
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide
CID 113046385
N-[3-methyl-4-[(6-phenylpyridazin-3-yl)amino]phenyl]methanesulfonamide
CID 170510711
N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide
CID 113051513
N-[6-(2-methylanilino)pyridazin-3-yl]propanamide
CID 113045581
N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045593
ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate
CID 113045640
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 113046610

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide?
The IUPAC name of N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide (CID 113045649) is N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide?
The canonical SMILES for N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide is Cc1ccccc1Nc1ccc(NS(C)(=O)=O)nn1.
What is the InChIKey of N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide?
The InChIKey is WWLIVACCLAAMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-9-5-3-4-6-10(9)13-11-7-8-12(15-14-11)16-19(2,17)18/h3-8H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide?
N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide has a molecular weight of 278.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide is sourced from PubChem (CID 113045649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).