1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea)

C132H164N24O18S6 — CID 158701077

About 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea)

1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea) (PubChem CID 158701077) has the molecular formula C132H164N24O18S6 and a molecular weight of 2567.32 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea).

Molecular Properties

• Compound Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea)
• PubChem CID: 158701077
• Molecular Formula: C132H164N24O18S6
• Molecular Weight: 2567.32 g/mol
• Exact Mass: 2565.10
• IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea)
• SMILES: CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)Cc1ccc2cn[nH]c2c1.CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)Cc1ccc2cnn(C)c2c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cn[nH]c3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cnn(C)c3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cnn(C)c3c2)c(C(C)C)c1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)Cc1ccc2cn[nH]c2c1
• InChI: InChI=1S/2C23H30N4O3S.2C22H28N4O3S.C21H22N4O3S.C21H26N4O3S/c2*1-14(2)19-9-16(5)10-20(15(3)4)22(19)25-23(28)26-31(29,30)13-17-7-8-18-12-24-27(6)21(18)11-17;1-13(2)18-8-15(5)9-19(14(3)4)21(18)24-22(27)26-30(28,29)12-16-6-7-17-11-23-25-20(17)10-16;1-14(2)18-7-6-8-19(15(3)4)21(18)24-22(27)25-30(28,29)13-16-9-10-17-12-23-26(5)20(17)11-16;26-21(23-20-17-5-1-3-14(17)10-15-4-2-6-18(15)20)25-29(27,28)12-13-7-8-16-11-22-24-19(16)9-13;1-13(2)17-6-5-7-18(14(3)4)20(17)23-21(26)25-29(27,28)12-15-8-9-16-11-22-24-19(16)10-15/h2*7-12,14-15H,13H2,1-6H3,(H2,25,26,28);6-11,13-14H,12H2,1-5H3,(H,23,25)(H2,24,26,27);6-12,14-15H,13H2,1-5H3,(H2,24,25,27);7-11H,1-6,12H2,(H,22,24)(H2,23,25,26);5-11,13-14H,12H2,1-4H3,(H,22,24)(H2,23,25,26)
• InChIKey: IHOAPKDPSKJITF-UHFFFAOYSA-N
• XLogP: 26.45
• TPSA: 591.12 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 27
• Rotatable Bonds: 34
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2567.32
LogP ≤ 5	26.45
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea)?

The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea) (CID 158701077) is 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea).

What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea)?

The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea) is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)Cc1ccc2cn[nH]c2c1.CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)Cc1ccc2cnn(C)c2c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cn[nH]c3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cnn(C)c3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cnn(C)c3c2)c(C(C)C)c1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)Cc1ccc2cn[nH]c2c1.

What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea)?

The InChIKey is IHOAPKDPSKJITF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H30N4O3S.2C22H28N4O3S.C21H22N4O3S.C21H26N4O3S/c2*1-14(2)19-9-16(5)10-20(15(3)4)22(19)25-23(28)26-31(29,30)13-17-7-8-18-12-24-27(6)21(18)11-17;1-13(2)18-8-15(5)9-19(14(3)4)21(18)24-22(27)26-30(28,29)12-16-6-7-17-11-23-25-20(17)10-16;1-14(2)18-7-6-8-19(15(3)4)21(18)24-22(27)25-30(28,29)13-16-9-10-17-12-23-26(5)20(17)11-16;26-21(23-20-17-5-1-3-14(17)10-15-4-2-6-18(15)20)25-29(27,28)12-13-7-8-16-11-22-24-19(16)9-13;1-13(2)17-6-5-7-18(14(3)4)20(17)23-21(26)25-29(27,28)12-15-8-9-16-11-22-24-19(16)10-15/h2*7-12,14-15H,13H2,1-6H3,(H2,25,26,28);6-11,13-14H,12H2,1-5H3,(H,23,25)(H2,24,26,27);6-12,14-15H,13H2,1-5H3,(H2,24,25,27);7-11H,1-6,12H2,(H,22,24)(H2,23,25,26);5-11,13-14H,12H2,1-4H3,(H,22,24)(H2,23,25,26).

What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea)?

1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea) has a molecular weight of 2567.32 g/mol, XLogP of 26.45, 34 rotatable bonds, 15 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea) is sourced from PubChem (CID 158701077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).