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

C116H148N24O22S6 — CID 162115178

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

1-(6-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(6-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;bis(1-(6-acetylpyridazin-3-yl)sulfonyl-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(6-methylpyridazin-3-yl)sulfonylurea) (PubChem CID 162115178) has the molecular formula C116H148N24O22S6 and a molecular weight of 2423.01 g/mol. Its IUPAC name is 1-(6-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(6-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;bis(1-(6-acetylpyridazin-3-yl)sulfonyl-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(6-methylpyridazin-3-yl)sulfonylurea).

Molecular Properties

• Compound Name: 1-(6-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(6-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;bis(1-(6-acetylpyridazin-3-yl)sulfonyl-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(6-methylpyridazin-3-yl)sulfonylurea)
• PubChem CID: 162115178
• Molecular Formula: C116H148N24O22S6
• Molecular Weight: 2423.01 g/mol
• Exact Mass: 2420.95
• IUPAC Name: 1-(6-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(6-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;bis(1-(6-acetylpyridazin-3-yl)sulfonyl-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(6-methylpyridazin-3-yl)sulfonylurea)
• SMILES: CC(=O)c1ccc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(C)cc2C(C)C)nn1.CC(=O)c1ccc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(C)cc2C(C)C)nn1.CC(=O)c1ccc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)nn1.CC(=O)c1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2ccc(C)nn2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2ccc(C)nn2)c(C(C)C)c1
• InChI: InChI=1S/2C20H26N4O4S.C19H20N4O4S.C19H24N4O4S.2C19H26N4O3S/c2*1-11(2)15-9-13(5)10-16(12(3)4)19(15)21-20(26)24-29(27,28)18-8-7-17(14(6)25)22-23-18;1-11(24)16-8-9-17(22-21-16)28(26,27)23-19(25)20-18-14-6-2-4-12(14)10-13-5-3-7-15(13)18;1-11(2)14-7-6-8-15(12(3)4)18(14)20-19(25)23-28(26,27)17-10-9-16(13(5)24)21-22-17;2*1-11(2)15-9-13(5)10-16(12(3)4)18(15)20-19(24)23-27(25,26)17-8-7-14(6)21-22-17/h2*7-12H,1-6H3,(H2,21,24,26);8-10H,2-7H2,1H3,(H2,20,23,25);6-12H,1-5H3,(H2,20,23,25);2*7-12H,1-6H3,(H2,20,23,24)
• InChIKey: ZGRBVAZYKHAVIP-UHFFFAOYSA-N
• XLogP: 20.79
• TPSA: 674.58 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 32
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2423.01
LogP ≤ 5	20.79
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

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

The IUPAC name of 1-(6-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(6-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;bis(1-(6-acetylpyridazin-3-yl)sulfonyl-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(6-methylpyridazin-3-yl)sulfonylurea) (CID 162115178) is 1-(6-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(6-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;bis(1-(6-acetylpyridazin-3-yl)sulfonyl-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(6-methylpyridazin-3-yl)sulfonylurea).

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

The canonical SMILES for 1-(6-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(6-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;bis(1-(6-acetylpyridazin-3-yl)sulfonyl-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(6-methylpyridazin-3-yl)sulfonylurea) is CC(=O)c1ccc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(C)cc2C(C)C)nn1.CC(=O)c1ccc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(C)cc2C(C)C)nn1.CC(=O)c1ccc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)nn1.CC(=O)c1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2ccc(C)nn2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2ccc(C)nn2)c(C(C)C)c1.

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

The InChIKey is ZGRBVAZYKHAVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H26N4O4S.C19H20N4O4S.C19H24N4O4S.2C19H26N4O3S/c2*1-11(2)15-9-13(5)10-16(12(3)4)19(15)21-20(26)24-29(27,28)18-8-7-17(14(6)25)22-23-18;1-11(24)16-8-9-17(22-21-16)28(26,27)23-19(25)20-18-14-6-2-4-12(14)10-13-5-3-7-15(13)18;1-11(2)14-7-6-8-15(12(3)4)18(14)20-19(25)23-28(26,27)17-10-9-16(13(5)24)21-22-17;2*1-11(2)15-9-13(5)10-16(12(3)4)18(15)20-19(24)23-27(25,26)17-8-7-14(6)21-22-17/h2*7-12H,1-6H3,(H2,21,24,26);8-10H,2-7H2,1H3,(H2,20,23,25);6-12H,1-5H3,(H2,20,23,25);2*7-12H,1-6H3,(H2,20,23,24).

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

1-(6-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(6-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;bis(1-(6-acetylpyridazin-3-yl)sulfonyl-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(6-methylpyridazin-3-yl)sulfonylurea) has a molecular weight of 2423.01 g/mol, XLogP of 20.79, 32 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(6-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;bis(1-(6-acetylpyridazin-3-yl)sulfonyl-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(6-methylpyridazin-3-yl)sulfonylurea) is sourced from PubChem (CID 162115178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).