4-[6-oxo-3-(4-propylphenyl)pyridazin-1-yl]benzenesulfonamide

C19H19N3O3S — CID 127027735

IUPAC4-[6-oxo-3-(4-propylphenyl)pyridazin-1-yl]benzenesulfonamide
SMILESCCCc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C19H19N3O3S/c1-2-3-14-4-6-15(7-5-14)18-12-13-19(23)22(21-18)16-8-10-17(11-9-16)26(20,24)25/h4-13H,2-3H2,1H3,(H2,20,24,25)
InChIKeyGTUTZABHNNYXKF-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.50
Rot. Bonds5

About 4-[6-oxo-3-(4-propylphenyl)pyridazin-1-yl]benzenesulfonamide

4-[6-oxo-3-(4-propylphenyl)pyridazin-1-yl]benzenesulfonamide (PubChem CID 127027735) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-[6-oxo-3-(4-propylphenyl)pyridazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[6-oxo-3-(4-propylphenyl)pyridazin-1-yl]benzenesulfonamide
PubChem CID127027735
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name4-[6-oxo-3-(4-propylphenyl)pyridazin-1-yl]benzenesulfonamide
SMILESCCCc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C19H19N3O3S/c1-2-3-14-4-6-15(7-5-14)18-12-13-19(23)22(21-18)16-8-10-17(11-9-16)26(20,24)25/h4-13H,2-3H2,1H3,(H2,20,24,25)
InChIKeyGTUTZABHNNYXKF-UHFFFAOYSA-N
XLogP2.50
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-oxo-3-(4-propylphenyl)pyridazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[6-oxo-3-(4-propylphenyl)pyridazin-1-yl]benzenesulfonamide (CID 127027735) is 4-[6-oxo-3-(4-propylphenyl)pyridazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[6-oxo-3-(4-propylphenyl)pyridazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[6-oxo-3-(4-propylphenyl)pyridazin-1-yl]benzenesulfonamide is CCCc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 4-[6-oxo-3-(4-propylphenyl)pyridazin-1-yl]benzenesulfonamide?
The InChIKey is GTUTZABHNNYXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-2-3-14-4-6-15(7-5-14)18-12-13-19(23)22(21-18)16-8-10-17(11-9-16)26(20,24)25/h4-13H,2-3H2,1H3,(H2,20,24,25).
What are the key properties of 4-[6-oxo-3-(4-propylphenyl)pyridazin-1-yl]benzenesulfonamide?
4-[6-oxo-3-(4-propylphenyl)pyridazin-1-yl]benzenesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-oxo-3-(4-propylphenyl)pyridazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 127027735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).