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

C19H19N3O4S — CID 171355491

IUPAC4-[3-[(E)-2-(2-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide
SMILESCOc1ccccc1/C=C/C1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)CC1
InChIInChI=1S/C19H19N3O4S/c1-26-18-5-3-2-4-14(18)6-7-15-8-13-19(23)22(21-15)16-9-11-17(12-10-16)27(20,24)25/h2-7,9-12H,8,13H2,1H3,(H2,20,24,25)/b7-6+
InChIKeyXLBZETYJTUVTDD-VOTSOKGWSA-N
MW385.45 g/mol
LogP2.54
Rot. Bonds5

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

4-[3-[(E)-2-(2-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide (PubChem CID 171355491) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-[3-[(E)-2-(2-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-[(E)-2-(2-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide
PubChem CID171355491
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name4-[3-[(E)-2-(2-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide
SMILESCOc1ccccc1/C=C/C1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)CC1
InChIInChI=1S/C19H19N3O4S/c1-26-18-5-3-2-4-14(18)6-7-15-8-13-19(23)22(21-15)16-9-11-17(12-10-16)27(20,24)25/h2-7,9-12H,8,13H2,1H3,(H2,20,24,25)/b7-6+
InChIKeyXLBZETYJTUVTDD-VOTSOKGWSA-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-(2-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-[(E)-2-(2-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide (CID 171355491) is 4-[3-[(E)-2-(2-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-[(E)-2-(2-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-[(E)-2-(2-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide is COc1ccccc1/C=C/C1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)CC1.
What is the InChIKey of 4-[3-[(E)-2-(2-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide?
The InChIKey is XLBZETYJTUVTDD-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-26-18-5-3-2-4-14(18)6-7-15-8-13-19(23)22(21-15)16-9-11-17(12-10-16)27(20,24)25/h2-7,9-12H,8,13H2,1H3,(H2,20,24,25)/b7-6+.
What are the key properties of 4-[3-[(E)-2-(2-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide?
4-[3-[(E)-2-(2-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-(2-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 171355491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).