3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide

C19H16N4O4S2 — CID 90670271

IUPAC3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(N)(=O)=O)c4)nn23)cc1
InChIInChI=1S/C19H16N4O4S2/c1-28(24,25)15-7-5-13(6-8-15)18-12-21-19-10-9-17(22-23(18)19)14-3-2-4-16(11-14)29(20,26)27/h2-12H,1H3,(H2,20,26,27)
InChIKeyFSQQVDWFEFMBIK-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.11
Rot. Bonds4

About 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide

3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide (PubChem CID 90670271) has the molecular formula C19H16N4O4S2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide
PubChem CID90670271
Molecular FormulaC19H16N4O4S2
Molecular Weight428.50 g/mol
Exact Mass428.06
IUPAC Name3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(N)(=O)=O)c4)nn23)cc1
InChIInChI=1S/C19H16N4O4S2/c1-28(24,25)15-7-5-13(6-8-15)18-12-21-19-10-9-17(22-23(18)19)14-3-2-4-16(11-14)29(20,26)27/h2-12H,1H3,(H2,20,26,27)
InChIKeyFSQQVDWFEFMBIK-UHFFFAOYSA-N
XLogP2.11
TPSA124.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide?
The IUPAC name of 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide (CID 90670271) is 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide.
What is the SMILES notation for 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide?
The canonical SMILES for 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide is CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(N)(=O)=O)c4)nn23)cc1.
What is the InChIKey of 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide?
The InChIKey is FSQQVDWFEFMBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S2/c1-28(24,25)15-7-5-13(6-8-15)18-12-21-19-10-9-17(22-23(18)19)14-3-2-4-16(11-14)29(20,26)27/h2-12H,1H3,(H2,20,26,27).
What are the key properties of 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide?
3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide has a molecular weight of 428.50 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide is sourced from PubChem (CID 90670271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).