N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-phenylethanesulfonamide

C18H23N5O3S — CID 113040621

IUPACN-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-phenylethanesulfonamide
SMILESCC(=O)N1CCN(c2ccc(NS(=O)(=O)CCc3ccccc3)nn2)CC1
InChIInChI=1S/C18H23N5O3S/c1-15(24)22-10-12-23(13-11-22)18-8-7-17(19-20-18)21-27(25,26)14-9-16-5-3-2-4-6-16/h2-8H,9-14H2,1H3,(H,19,21)
InChIKeyVURBGWGFPYKCGV-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.13
Rot. Bonds6

About N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-phenylethanesulfonamide

N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-phenylethanesulfonamide (PubChem CID 113040621) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-phenylethanesulfonamide
PubChem CID113040621
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC NameN-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-phenylethanesulfonamide
SMILESCC(=O)N1CCN(c2ccc(NS(=O)(=O)CCc3ccccc3)nn2)CC1
InChIInChI=1S/C18H23N5O3S/c1-15(24)22-10-12-23(13-11-22)18-8-7-17(19-20-18)21-27(25,26)14-9-16-5-3-2-4-6-16/h2-8H,9-14H2,1H3,(H,19,21)
InChIKeyVURBGWGFPYKCGV-UHFFFAOYSA-N
XLogP1.13
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-pyrrolidin-1-ylpyridazin-3-yl)propane-1-sulfonamide
CID 113038761
6-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109117114
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide
CID 113040589
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]furan-2-carboxamide
CID 113040547
2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]ethanesulfonamide
CID 113041241
N-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide
CID 113039015
3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 56699361
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 56699712
6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
CID 109117118
1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 70702484
3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide
CID 113043924

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-phenylethanesulfonamide?
The IUPAC name of N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-phenylethanesulfonamide (CID 113040621) is N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-phenylethanesulfonamide is CC(=O)N1CCN(c2ccc(NS(=O)(=O)CCc3ccccc3)nn2)CC1.
What is the InChIKey of N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-phenylethanesulfonamide?
The InChIKey is VURBGWGFPYKCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-15(24)22-10-12-23(13-11-22)18-8-7-17(19-20-18)21-27(25,26)14-9-16-5-3-2-4-6-16/h2-8H,9-14H2,1H3,(H,19,21).
What are the key properties of N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-phenylethanesulfonamide?
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-phenylethanesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-phenylethanesulfonamide is sourced from PubChem (CID 113040621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).