5-[4-(benzylamino)-5-chloropyrrolo[1,2-b]pyridazin-2-yl]-N-tert-butylpyridine-3-sulfonamide;N-benzyl-2,5-dichloropyrrolo[1,2-b]pyridazin-4-amine;N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)pyridine-3-sulfonamide

C52H60Cl3N11O6S2 — CID 159260485

About 5-[4-(benzylamino)-5-chloropyrrolo[1,2-b]pyridazin-2-yl]-N-tert-butylpyridine-3-sulfonamide;N-benzyl-2,5-dichloropyrrolo[1,2-b]pyridazin-4-amine;N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)pyridine-3-sulfonamide

5-[4-(benzylamino)-5-chloropyrrolo[1,2-b]pyridazin-2-yl]-N-tert-butylpyridine-3-sulfonamide;N-benzyl-2,5-dichloropyrrolo[1,2-b]pyridazin-4-amine;N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)pyridine-3-sulfonamide (PubChem CID 159260485) has the molecular formula C52H60Cl3N11O6S2 and a molecular weight of 1105.62 g/mol. Its IUPAC name is 5-[4-(benzylamino)-5-chloropyrrolo[1,2-b]pyridazin-2-yl]-N-tert-butylpyridine-3-sulfonamide;N-benzyl-2,5-dichloropyrrolo[1,2-b]pyridazin-4-amine;N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 5-[4-(benzylamino)-5-chloropyrrolo[1,2-b]pyridazin-2-yl]-N-tert-butylpyridine-3-sulfonamide;N-benzyl-2,5-dichloropyrrolo[1,2-b]pyridazin-4-amine;N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)pyridine-3-sulfonamide
• PubChem CID: 159260485
• Molecular Formula: C52H60Cl3N11O6S2
• Molecular Weight: 1105.62 g/mol
• Exact Mass: 1103.32
• IUPAC Name: 5-[4-(benzylamino)-5-chloropyrrolo[1,2-b]pyridazin-2-yl]-N-tert-butylpyridine-3-sulfonamide;N-benzyl-2,5-dichloropyrrolo[1,2-b]pyridazin-4-amine;N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)pyridine-3-sulfonamide
• SMILES: CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(NCc3ccccc3)c3c(Cl)ccn3n2)c1.CC(C)(C)NS(=O)(=O)c1cncc(N2OC(C)(C)C(C)(C)O2)c1.Clc1cc(NCc2ccccc2)c2c(Cl)ccn2n1
• InChI: InChI=1S/C23H24ClN5O2S.C15H25N3O4S.C14H11Cl2N3/c1-23(2,3)28-32(30,31)18-11-17(14-25-15-18)20-12-21(22-19(24)9-10-29(22)27-20)26-13-16-7-5-4-6-8-16;1-13(2,3)17-23(19,20)12-8-11(9-16-10-12)18-21-14(4,5)15(6,7)22-18;15-11-6-7-19-14(11)12(8-13(16)18-19)17-9-10-4-2-1-3-5-10/h4-12,14-15,26,28H,13H2,1-3H3;8-10,17H,1-7H3;1-8,17H,9H2
• InChIKey: KWLDWPWGHREMRY-UHFFFAOYSA-N
• XLogP: 11.39
• TPSA: 198.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1105.62
LogP ≤ 5	11.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-[4-(benzylamino)-5-chloropyrrolo[1,2-b]pyridazin-2-yl]-N-tert-butylpyridine-3-sulfonamide;N-benzyl-2,5-dichloropyrrolo[1,2-b]pyridazin-4-amine;N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)pyridine-3-sulfonamide?

The IUPAC name of 5-[4-(benzylamino)-5-chloropyrrolo[1,2-b]pyridazin-2-yl]-N-tert-butylpyridine-3-sulfonamide;N-benzyl-2,5-dichloropyrrolo[1,2-b]pyridazin-4-amine;N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)pyridine-3-sulfonamide (CID 159260485) is 5-[4-(benzylamino)-5-chloropyrrolo[1,2-b]pyridazin-2-yl]-N-tert-butylpyridine-3-sulfonamide;N-benzyl-2,5-dichloropyrrolo[1,2-b]pyridazin-4-amine;N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)pyridine-3-sulfonamide.

What is the SMILES notation for 5-[4-(benzylamino)-5-chloropyrrolo[1,2-b]pyridazin-2-yl]-N-tert-butylpyridine-3-sulfonamide;N-benzyl-2,5-dichloropyrrolo[1,2-b]pyridazin-4-amine;N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)pyridine-3-sulfonamide?

The canonical SMILES for 5-[4-(benzylamino)-5-chloropyrrolo[1,2-b]pyridazin-2-yl]-N-tert-butylpyridine-3-sulfonamide;N-benzyl-2,5-dichloropyrrolo[1,2-b]pyridazin-4-amine;N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)pyridine-3-sulfonamide is CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(NCc3ccccc3)c3c(Cl)ccn3n2)c1.CC(C)(C)NS(=O)(=O)c1cncc(N2OC(C)(C)C(C)(C)O2)c1.Clc1cc(NCc2ccccc2)c2c(Cl)ccn2n1.

What is the InChIKey of 5-[4-(benzylamino)-5-chloropyrrolo[1,2-b]pyridazin-2-yl]-N-tert-butylpyridine-3-sulfonamide;N-benzyl-2,5-dichloropyrrolo[1,2-b]pyridazin-4-amine;N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)pyridine-3-sulfonamide?

The InChIKey is KWLDWPWGHREMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2S.C15H25N3O4S.C14H11Cl2N3/c1-23(2,3)28-32(30,31)18-11-17(14-25-15-18)20-12-21(22-19(24)9-10-29(22)27-20)26-13-16-7-5-4-6-8-16;1-13(2,3)17-23(19,20)12-8-11(9-16-10-12)18-21-14(4,5)15(6,7)22-18;15-11-6-7-19-14(11)12(8-13(16)18-19)17-9-10-4-2-1-3-5-10/h4-12,14-15,26,28H,13H2,1-3H3;8-10,17H,1-7H3;1-8,17H,9H2.

What are the key properties of 5-[4-(benzylamino)-5-chloropyrrolo[1,2-b]pyridazin-2-yl]-N-tert-butylpyridine-3-sulfonamide;N-benzyl-2,5-dichloropyrrolo[1,2-b]pyridazin-4-amine;N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)pyridine-3-sulfonamide?

5-[4-(benzylamino)-5-chloropyrrolo[1,2-b]pyridazin-2-yl]-N-tert-butylpyridine-3-sulfonamide;N-benzyl-2,5-dichloropyrrolo[1,2-b]pyridazin-4-amine;N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)pyridine-3-sulfonamide has a molecular weight of 1105.62 g/mol, XLogP of 11.39, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(benzylamino)-5-chloropyrrolo[1,2-b]pyridazin-2-yl]-N-tert-butylpyridine-3-sulfonamide;N-benzyl-2,5-dichloropyrrolo[1,2-b]pyridazin-4-amine;N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 159260485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).