(E)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide

C20H19N3O3S — CID 86264195

IUPAC(E)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2ccccc2-c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C20H19N3O3S/c1-15-7-9-16(10-8-15)13-14-27(25,26)22-19-6-4-3-5-17(19)18-11-12-20(24)23(2)21-18/h3-14,22H,1-2H3/b14-13+
InChIKeyMSHJWJSABVMNGM-BUHFOSPRSA-N
MW381.46 g/mol
LogP3.17
Rot. Bonds5

About (E)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide

(E)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 86264195) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is (E)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide
PubChem CID86264195
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name(E)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2ccccc2-c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C20H19N3O3S/c1-15-7-9-16(10-8-15)13-14-27(25,26)22-19-6-4-3-5-17(19)18-11-12-20(24)23(2)21-18/h3-14,22H,1-2H3/b14-13+
InChIKeyMSHJWJSABVMNGM-BUHFOSPRSA-N
XLogP3.17
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide (CID 86264195) is (E)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)Nc2ccccc2-c2ccc(=O)n(C)n2)cc1.
What is the InChIKey of (E)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is MSHJWJSABVMNGM-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-15-7-9-16(10-8-15)13-14-27(25,26)22-19-6-4-3-5-17(19)18-11-12-20(24)23(2)21-18/h3-14,22H,1-2H3/b14-13+.
What are the key properties of (E)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide?
(E)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 381.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 86264195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).