N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide

C13H16N4O2S — CID 113046385

IUPACN-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide
SMILESCc1ccc(Nc2ccc(NS(C)(=O)=O)nn2)cc1C
InChIInChI=1S/C13H16N4O2S/c1-9-4-5-11(8-10(9)2)14-12-6-7-13(16-15-12)17-20(3,18)19/h4-8H,1-3H3,(H,14,15)(H,16,17)
InChIKeyGYVIHNFMUQSSPQ-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.21
Rot. Bonds4

About N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide

N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide (PubChem CID 113046385) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide
PubChem CID113046385
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide
SMILESCc1ccc(Nc2ccc(NS(C)(=O)=O)nn2)cc1C
InChIInChI=1S/C13H16N4O2S/c1-9-4-5-11(8-10(9)2)14-12-6-7-13(16-15-12)17-20(3,18)19/h4-8H,1-3H3,(H,14,15)(H,16,17)
InChIKeyGYVIHNFMUQSSPQ-UHFFFAOYSA-N
XLogP2.21
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide
CID 113046386
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide
CID 113048905
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113046405
N-[6-(4-tert-butylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047127
N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047692
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113051684
N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide
CID 113045649
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113047802
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide
CID 113033646
N-[3-methyl-4-[(6-phenylpyridazin-3-yl)amino]phenyl]methanesulfonamide
CID 170510711
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 113050274
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113048906

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide?
The IUPAC name of N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide (CID 113046385) is N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide?
The canonical SMILES for N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide is Cc1ccc(Nc2ccc(NS(C)(=O)=O)nn2)cc1C.
What is the InChIKey of N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide?
The InChIKey is GYVIHNFMUQSSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9-4-5-11(8-10(9)2)14-12-6-7-13(16-15-12)17-20(3,18)19/h4-8H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide?
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide is sourced from PubChem (CID 113046385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).