4-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide

C18H17N3O3S — CID 54612980

IUPAC4-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESCCc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C18H17N3O3S/c1-2-13-3-5-14(6-4-13)17-11-12-18(22)21(20-17)15-7-9-16(10-8-15)25(19,23)24/h3-12H,2H2,1H3,(H2,19,23,24)
InChIKeySCVWZSCVSFMXEU-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.11
Rot. Bonds4

About 4-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide

4-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide (PubChem CID 54612980) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
PubChem CID54612980
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name4-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESCCc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C18H17N3O3S/c1-2-13-3-5-14(6-4-13)17-11-12-18(22)21(20-17)15-7-9-16(10-8-15)25(19,23)24/h3-12H,2H2,1H3,(H2,19,23,24)
InChIKeySCVWZSCVSFMXEU-UHFFFAOYSA-N
XLogP2.11
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide (CID 54612980) is 4-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide is CCc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 4-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The InChIKey is SCVWZSCVSFMXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-2-13-3-5-14(6-4-13)17-11-12-18(22)21(20-17)15-7-9-16(10-8-15)25(19,23)24/h3-12H,2H2,1H3,(H2,19,23,24).
What are the key properties of 4-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
4-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 54612980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).