4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide

C19H19N3O4S — CID 171344027

IUPAC4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide
SMILESCOc1ccc(/C=C/C2=NN(c3ccc(S(N)(=O)=O)cc3)C(=O)CC2)cc1
InChIInChI=1S/C19H19N3O4S/c1-26-17-9-3-14(4-10-17)2-5-15-6-13-19(23)22(21-15)16-7-11-18(12-8-16)27(20,24)25/h2-5,7-12H,6,13H2,1H3,(H2,20,24,25)/b5-2+
InChIKeyFKRIWEMPRCOAKX-GORDUTHDSA-N
MW385.45 g/mol
LogP2.54
Rot. Bonds5

About 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide

4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide (PubChem CID 171344027) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide
PubChem CID171344027
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide
SMILESCOc1ccc(/C=C/C2=NN(c3ccc(S(N)(=O)=O)cc3)C(=O)CC2)cc1
InChIInChI=1S/C19H19N3O4S/c1-26-17-9-3-14(4-10-17)2-5-15-6-13-19(23)22(21-15)16-7-11-18(12-8-16)27(20,24)25/h2-5,7-12H,6,13H2,1H3,(H2,20,24,25)/b5-2+
InChIKeyFKRIWEMPRCOAKX-GORDUTHDSA-N
XLogP2.54
TPSA102.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide (CID 171344027) is 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide is COc1ccc(/C=C/C2=NN(c3ccc(S(N)(=O)=O)cc3)C(=O)CC2)cc1.
What is the InChIKey of 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide?
The InChIKey is FKRIWEMPRCOAKX-GORDUTHDSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-26-17-9-3-14(4-10-17)2-5-15-6-13-19(23)22(21-15)16-7-11-18(12-8-16)27(20,24)25/h2-5,7-12H,6,13H2,1H3,(H2,20,24,25)/b5-2+.
What are the key properties of 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide?
4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 171344027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).