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

C16H21N5O3S — CID 113049323

IUPACN-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccc(NC(C)=O)cc2)nn1
InChIInChI=1S/C16H21N5O3S/c1-3-4-11-25(23,24)21-16-10-9-15(19-20-16)18-14-7-5-13(6-8-14)17-12(2)22/h5-10H,3-4,11H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)
InChIKeyGCOMBFKDXVGHJJ-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.72
Rot. Bonds8

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

N-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide (PubChem CID 113049323) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
PubChem CID113049323
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC NameN-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccc(NC(C)=O)cc2)nn1
InChIInChI=1S/C16H21N5O3S/c1-3-4-11-25(23,24)21-16-10-9-15(19-20-16)18-14-7-5-13(6-8-14)17-12(2)22/h5-10H,3-4,11H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)
InChIKeyGCOMBFKDXVGHJJ-UHFFFAOYSA-N
XLogP2.72
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049321
N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide
CID 113049268
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113050339
N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113038387
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113051590
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113051676
N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113047101
6-(4-acetamidoanilino)pyridazine-3-carboxylic acid
CID 60791814
6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124466
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113048664
N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113049270
N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119800492

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide (CID 113049323) is N-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide is CCCCS(=O)(=O)Nc1ccc(Nc2ccc(NC(C)=O)cc2)nn1.
What is the InChIKey of N-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide?
The InChIKey is GCOMBFKDXVGHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-3-4-11-25(23,24)21-16-10-9-15(19-20-16)18-14-7-5-13(6-8-14)17-12(2)22/h5-10H,3-4,11H2,1-2H3,(H,17,22)(H,18,19)(H,20,21).
What are the key properties of N-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide?
N-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide has a molecular weight of 363.44 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 113049323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).