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

C22H20N4O4S2 — CID 90670269

IUPACN-cyclopropyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(=O)(=O)NC5CC5)c4)nn23)cc1
InChIInChI=1S/C22H20N4O4S2/c1-31(27,28)18-9-5-15(6-10-18)21-14-23-22-12-11-20(24-26(21)22)16-3-2-4-19(13-16)32(29,30)25-17-7-8-17/h2-6,9-14,17,25H,7-8H2,1H3
InChIKeyGICYBIYEAOYCOA-UHFFFAOYSA-N
MW468.56 g/mol
LogP2.91
Rot. Bonds6

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

N-cyclopropyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide (PubChem CID 90670269) has the molecular formula C22H20N4O4S2 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide
PubChem CID90670269
Molecular FormulaC22H20N4O4S2
Molecular Weight468.56 g/mol
Exact Mass468.09
IUPAC NameN-cyclopropyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(=O)(=O)NC5CC5)c4)nn23)cc1
InChIInChI=1S/C22H20N4O4S2/c1-31(27,28)18-9-5-15(6-10-18)21-14-23-22-12-11-20(24-26(21)22)16-3-2-4-19(13-16)32(29,30)25-17-7-8-17/h2-6,9-14,17,25H,7-8H2,1H3
InChIKeyGICYBIYEAOYCOA-UHFFFAOYSA-N
XLogP2.91
TPSA110.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide (CID 90670269) is N-cyclopropyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide is CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(=O)(=O)NC5CC5)c4)nn23)cc1.
What is the InChIKey of N-cyclopropyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide?
The InChIKey is GICYBIYEAOYCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S2/c1-31(27,28)18-9-5-15(6-10-18)21-14-23-22-12-11-20(24-26(21)22)16-3-2-4-19(13-16)32(29,30)25-17-7-8-17/h2-6,9-14,17,25H,7-8H2,1H3.
What are the key properties of N-cyclopropyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide?
N-cyclopropyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide has a molecular weight of 468.56 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide is sourced from PubChem (CID 90670269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).