1-(4-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(4-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpyridazin-3-yl)sulfonylurea;tris(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea)

C131H166N28O23S7 — CID 158258432

About 1-(4-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(4-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpyridazin-3-yl)sulfonylurea;tris(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea)

1-(4-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(4-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpyridazin-3-yl)sulfonylurea;tris(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea) (PubChem CID 158258432) has the molecular formula C131H166N28O23S7 and a molecular weight of 2725.41 g/mol. Its IUPAC name is 1-(4-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(4-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpyridazin-3-yl)sulfonylurea;tris(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea).

Molecular Properties

• Compound Name: 1-(4-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(4-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpyridazin-3-yl)sulfonylurea;tris(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea)
• PubChem CID: 158258432
• Molecular Formula: C131H166N28O23S7
• Molecular Weight: 2725.41 g/mol
• Exact Mass: 2723.07
• IUPAC Name: 1-(4-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(4-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpyridazin-3-yl)sulfonylurea;tris(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea)
• SMILES: CC(=O)c1ccnnc1S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C.CC(=O)c1ccnnc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2nnccc2C)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2nnccc2C)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2nnccc2C)c(C(C)C)c1.Cc1ccnnc1S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C.Cc1ccnnc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2
• InChI: InChI=1S/C19H20N4O4S.C19H24N4O4S.3C19H26N4O3S.C18H20N4O3S.C18H24N4O3S/c1-11(24)14-8-9-20-22-18(14)28(26,27)23-19(25)21-17-15-6-2-4-12(15)10-13-5-3-7-16(13)17;1-11(2)14-7-6-8-15(12(3)4)17(14)21-19(25)23-28(26,27)18-16(13(5)24)9-10-20-22-18;3*1-11(2)15-9-13(5)10-16(12(3)4)17(15)21-19(24)23-27(25,26)18-14(6)7-8-20-22-18;1-11-8-9-19-21-17(11)26(24,25)22-18(23)20-16-14-6-2-4-12(14)10-13-5-3-7-15(13)16;1-11(2)14-7-6-8-15(12(3)4)16(14)20-18(23)22-26(24,25)17-13(5)9-10-19-21-17/h8-10H,2-7H2,1H3,(H2,21,23,25);6-12H,1-5H3,(H2,21,23,25);3*7-12H,1-6H3,(H2,21,23,24);8-10H,2-7H2,1H3,(H2,20,22,23);6-12H,1-5H3,(H2,20,22,23)
• InChIKey: GHOOAGQGCWIJCI-UHFFFAOYSA-N
• XLogP: 22.97
• TPSA: 741.49 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 37
• Rotatable Bonds: 33
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2725.41
LogP ≤ 5	22.97
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(4-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpyridazin-3-yl)sulfonylurea;tris(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea)?

The IUPAC name of 1-(4-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(4-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpyridazin-3-yl)sulfonylurea;tris(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea) (CID 158258432) is 1-(4-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(4-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpyridazin-3-yl)sulfonylurea;tris(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea).

What is the SMILES notation for 1-(4-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(4-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpyridazin-3-yl)sulfonylurea;tris(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea)?

The canonical SMILES for 1-(4-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(4-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpyridazin-3-yl)sulfonylurea;tris(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea) is CC(=O)c1ccnnc1S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C.CC(=O)c1ccnnc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2nnccc2C)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2nnccc2C)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2nnccc2C)c(C(C)C)c1.Cc1ccnnc1S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C.Cc1ccnnc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.

What is the InChIKey of 1-(4-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(4-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpyridazin-3-yl)sulfonylurea;tris(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea)?

The InChIKey is GHOOAGQGCWIJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S.C19H24N4O4S.3C19H26N4O3S.C18H20N4O3S.C18H24N4O3S/c1-11(24)14-8-9-20-22-18(14)28(26,27)23-19(25)21-17-15-6-2-4-12(15)10-13-5-3-7-16(13)17;1-11(2)14-7-6-8-15(12(3)4)17(14)21-19(25)23-28(26,27)18-16(13(5)24)9-10-20-22-18;3*1-11(2)15-9-13(5)10-16(12(3)4)17(15)21-19(24)23-27(25,26)18-14(6)7-8-20-22-18;1-11-8-9-19-21-17(11)26(24,25)22-18(23)20-16-14-6-2-4-12(14)10-13-5-3-7-15(13)16;1-11(2)14-7-6-8-15(12(3)4)16(14)20-18(23)22-26(24,25)17-13(5)9-10-19-21-17/h8-10H,2-7H2,1H3,(H2,21,23,25);6-12H,1-5H3,(H2,21,23,25);3*7-12H,1-6H3,(H2,21,23,24);8-10H,2-7H2,1H3,(H2,20,22,23);6-12H,1-5H3,(H2,20,22,23).

What are the key properties of 1-(4-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(4-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpyridazin-3-yl)sulfonylurea;tris(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea)?

1-(4-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(4-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpyridazin-3-yl)sulfonylurea;tris(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea) has a molecular weight of 2725.41 g/mol, XLogP of 22.97, 33 rotatable bonds, 14 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(4-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpyridazin-3-yl)sulfonylurea;tris(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea) is sourced from PubChem (CID 158258432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).