N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide

C14H17N5O3S — CID 113049321

IUPACN-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(NC(C)=O)cc2)nn1
InChIInChI=1S/C14H17N5O3S/c1-3-23(21,22)19-14-9-8-13(17-18-14)16-12-6-4-11(5-7-12)15-10(2)20/h4-9H,3H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyXAIGTPYKQNGXKY-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.94
Rot. Bonds6

About N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide

N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide (PubChem CID 113049321) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
PubChem CID113049321
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC NameN-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(NC(C)=O)cc2)nn1
InChIInChI=1S/C14H17N5O3S/c1-3-23(21,22)19-14-9-8-13(17-18-14)16-12-6-4-11(5-7-12)15-10(2)20/h4-9H,3H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyXAIGTPYKQNGXKY-UHFFFAOYSA-N
XLogP1.94
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049323
N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide
CID 113049268
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide
CID 113046386
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113048906
6-(4-acetamidoanilino)pyridazine-3-carboxylic acid
CID 60791814
6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124466
N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113049923
N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113049270
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]ethanesulfonamide
CID 113050265
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide
CID 113049292
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide (CID 113049321) is N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide is CCS(=O)(=O)Nc1ccc(Nc2ccc(NC(C)=O)cc2)nn1.
What is the InChIKey of N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide?
The InChIKey is XAIGTPYKQNGXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-3-23(21,22)19-14-9-8-13(17-18-14)16-12-6-4-11(5-7-12)15-10(2)20/h4-9H,3H2,1-2H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide?
N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide has a molecular weight of 335.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 113049321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).