N-[4-(6-oxo-1-phenyl-4,5-dihydropyridazin-3-yl)phenyl]methanesulfonamide

C17H17N3O3S — CID 25154761

IUPACN-[4-(6-oxo-1-phenyl-4,5-dihydropyridazin-3-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=NN(c3ccccc3)C(=O)CC2)cc1
InChIInChI=1S/C17H17N3O3S/c1-24(22,23)19-14-9-7-13(8-10-14)16-11-12-17(21)20(18-16)15-5-3-2-4-6-15/h2-10,19H,11-12H2,1H3
InChIKeyIPCSORAFDSUVLM-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.59
Rot. Bonds4

About N-[4-(6-oxo-1-phenyl-4,5-dihydropyridazin-3-yl)phenyl]methanesulfonamide

N-[4-(6-oxo-1-phenyl-4,5-dihydropyridazin-3-yl)phenyl]methanesulfonamide (PubChem CID 25154761) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[4-(6-oxo-1-phenyl-4,5-dihydropyridazin-3-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(6-oxo-1-phenyl-4,5-dihydropyridazin-3-yl)phenyl]methanesulfonamide
PubChem CID25154761
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[4-(6-oxo-1-phenyl-4,5-dihydropyridazin-3-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=NN(c3ccccc3)C(=O)CC2)cc1
InChIInChI=1S/C17H17N3O3S/c1-24(22,23)19-14-9-7-13(8-10-14)16-11-12-17(21)20(18-16)15-5-3-2-4-6-15/h2-10,19H,11-12H2,1H3
InChIKeyIPCSORAFDSUVLM-UHFFFAOYSA-N
XLogP2.59
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-oxo-1-phenyl-4,5-dihydropyridazin-3-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(6-oxo-1-phenyl-4,5-dihydropyridazin-3-yl)phenyl]methanesulfonamide (CID 25154761) is N-[4-(6-oxo-1-phenyl-4,5-dihydropyridazin-3-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(6-oxo-1-phenyl-4,5-dihydropyridazin-3-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(6-oxo-1-phenyl-4,5-dihydropyridazin-3-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C2=NN(c3ccccc3)C(=O)CC2)cc1.
What is the InChIKey of N-[4-(6-oxo-1-phenyl-4,5-dihydropyridazin-3-yl)phenyl]methanesulfonamide?
The InChIKey is IPCSORAFDSUVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-24(22,23)19-14-9-7-13(8-10-14)16-11-12-17(21)20(18-16)15-5-3-2-4-6-15/h2-10,19H,11-12H2,1H3.
What are the key properties of N-[4-(6-oxo-1-phenyl-4,5-dihydropyridazin-3-yl)phenyl]methanesulfonamide?
N-[4-(6-oxo-1-phenyl-4,5-dihydropyridazin-3-yl)phenyl]methanesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-oxo-1-phenyl-4,5-dihydropyridazin-3-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 25154761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).