N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]cyclopropanesulfonamide;N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;1-(2,3-dihydroxypropyl)-N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropane-1-sulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide

C111H100Br3Cl3F9I3N16O20S6 — CID 159109299

About N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]cyclopropanesulfonamide;N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;1-(2,3-dihydroxypropyl)-N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropane-1-sulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide

N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]cyclopropanesulfonamide;N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;1-(2,3-dihydroxypropyl)-N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropane-1-sulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide (PubChem CID 159109299) has the molecular formula C111H100Br3Cl3F9I3N16O20S6 and a molecular weight of 3068.28 g/mol. Its IUPAC name is N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]cyclopropanesulfonamide;N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;1-(2,3-dihydroxypropyl)-N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropane-1-sulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]cyclopropanesulfonamide;N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;1-(2,3-dihydroxypropyl)-N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropane-1-sulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide
• PubChem CID: 159109299
• Molecular Formula: C111H100Br3Cl3F9I3N16O20S6
• Molecular Weight: 3068.28 g/mol
• Exact Mass: 3061.92
• IUPAC Name: N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]cyclopropanesulfonamide;N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;1-(2,3-dihydroxypropyl)-N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropane-1-sulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide
• SMILES: Cc1noc2c(F)c(Cc3ccc(Br)cc3Cl)c(NS(=O)(=O)C3CC3)cc12.Cc1noc2c(F)c(Cc3ccc(I)cc3F)c(NS(=O)(=O)C3(CC(O)CO)CC3)cc12.Cc1noc2c(F)c(Cc3ccc(I)cc3F)c(NS(=O)(=O)C3(CCO)CC3)cc12.Cc1noc2c(F)c(Cc3ccc(I)cc3F)c(NS(=O)(=O)C3CC3)cc12.O=S(=O)(Nc1nn2ccnc2c(F)c1Cc1ccc(Br)cc1Cl)C1(CCO)CC1.O=S(=O)(Nc1nn2ccnc2c(F)c1Cc1ccc(Br)cc1Cl)C1CC1
• InChI: InChI=1S/C21H21F2IN2O5S.C20H19F2IN2O4S.C18H17BrClFN4O3S.C18H15BrClFN2O3S.C18H15F2IN2O3S.C16H13BrClFN4O2S/c1-11-15-8-18(26-32(29,30)21(4-5-21)9-14(28)10-27)16(19(23)20(15)31-25-11)6-12-2-3-13(24)7-17(12)22;1-11-14-10-17(25-30(27,28)20(4-5-20)6-7-26)15(18(22)19(14)29-24-11)8-12-2-3-13(23)9-16(12)21;19-12-2-1-11(14(20)10-12)9-13-15(21)17-22-6-7-25(17)23-16(13)24-29(27,28)18(3-4-18)5-8-26;1-9-13-8-16(23-27(24,25)12-4-5-12)14(17(21)18(13)26-22-9)6-10-2-3-11(19)7-15(10)20;1-9-13-8-16(23-27(24,25)12-4-5-12)14(17(20)18(13)26-22-9)6-10-2-3-11(21)7-15(10)19;17-10-2-1-9(13(18)8-10)7-12-14(19)16-20-5-6-23(16)21-15(12)22-26(24,25)11-3-4-11/h2-3,7-8,14,26-28H,4-6,9-10H2,1H3;2-3,9-10,25-26H,4-8H2,1H3;1-2,6-7,10,26H,3-5,8-9H2,(H,23,24);2*2-3,7-8,12,23H,4-6H2,1H3;1-2,5-6,8,11H,3-4,7H2,(H,21,22)
• InChIKey: KEGZYKABPAXCMA-UHFFFAOYSA-N
• XLogP: 24.90
• TPSA: 522.44 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 37
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3068.28
LogP ≤ 5	24.90
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]cyclopropanesulfonamide;N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;1-(2,3-dihydroxypropyl)-N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropane-1-sulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?

The IUPAC name of N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]cyclopropanesulfonamide;N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;1-(2,3-dihydroxypropyl)-N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropane-1-sulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide (CID 159109299) is N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]cyclopropanesulfonamide;N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;1-(2,3-dihydroxypropyl)-N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropane-1-sulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide.

What is the SMILES notation for N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]cyclopropanesulfonamide;N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;1-(2,3-dihydroxypropyl)-N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropane-1-sulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?

The canonical SMILES for N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]cyclopropanesulfonamide;N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;1-(2,3-dihydroxypropyl)-N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropane-1-sulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide is Cc1noc2c(F)c(Cc3ccc(Br)cc3Cl)c(NS(=O)(=O)C3CC3)cc12.Cc1noc2c(F)c(Cc3ccc(I)cc3F)c(NS(=O)(=O)C3(CC(O)CO)CC3)cc12.Cc1noc2c(F)c(Cc3ccc(I)cc3F)c(NS(=O)(=O)C3(CCO)CC3)cc12.Cc1noc2c(F)c(Cc3ccc(I)cc3F)c(NS(=O)(=O)C3CC3)cc12.O=S(=O)(Nc1nn2ccnc2c(F)c1Cc1ccc(Br)cc1Cl)C1(CCO)CC1.O=S(=O)(Nc1nn2ccnc2c(F)c1Cc1ccc(Br)cc1Cl)C1CC1.

What is the InChIKey of N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]cyclopropanesulfonamide;N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;1-(2,3-dihydroxypropyl)-N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropane-1-sulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?

The InChIKey is KEGZYKABPAXCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2IN2O5S.C20H19F2IN2O4S.C18H17BrClFN4O3S.C18H15BrClFN2O3S.C18H15F2IN2O3S.C16H13BrClFN4O2S/c1-11-15-8-18(26-32(29,30)21(4-5-21)9-14(28)10-27)16(19(23)20(15)31-25-11)6-12-2-3-13(24)7-17(12)22;1-11-14-10-17(25-30(27,28)20(4-5-20)6-7-26)15(18(22)19(14)29-24-11)8-12-2-3-13(23)9-16(12)21;19-12-2-1-11(14(20)10-12)9-13-15(21)17-22-6-7-25(17)23-16(13)24-29(27,28)18(3-4-18)5-8-26;1-9-13-8-16(23-27(24,25)12-4-5-12)14(17(21)18(13)26-22-9)6-10-2-3-11(19)7-15(10)20;1-9-13-8-16(23-27(24,25)12-4-5-12)14(17(20)18(13)26-22-9)6-10-2-3-11(21)7-15(10)19;17-10-2-1-9(13(18)8-10)7-12-14(19)16-20-5-6-23(16)21-15(12)22-26(24,25)11-3-4-11/h2-3,7-8,14,26-28H,4-6,9-10H2,1H3;2-3,9-10,25-26H,4-8H2,1H3;1-2,6-7,10,26H,3-5,8-9H2,(H,23,24);2*2-3,7-8,12,23H,4-6H2,1H3;1-2,5-6,8,11H,3-4,7H2,(H,21,22).

What are the key properties of N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]cyclopropanesulfonamide;N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;1-(2,3-dihydroxypropyl)-N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropane-1-sulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?

N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]cyclopropanesulfonamide;N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;1-(2,3-dihydroxypropyl)-N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropane-1-sulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide has a molecular weight of 3068.28 g/mol, XLogP of 24.90, 37 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]cyclopropanesulfonamide;N-[7-[(4-bromo-2-chlorophenyl)methyl]-8-fluoroimidazo[1,2-b]pyridazin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;1-(2,3-dihydroxypropyl)-N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropane-1-sulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide;N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide is sourced from PubChem (CID 159109299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).