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

C130H156N24O18S6 — CID 159957491

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

1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindazol-5-yl)methylsulfonyl]urea;bis(1-(1H-indazol-5-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea (PubChem CID 159957491) has the molecular formula C130H156N24O18S6 and a molecular weight of 2535.23 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindazol-5-yl)methylsulfonyl]urea;bis(1-(1H-indazol-5-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindazol-5-yl)methylsulfonyl]urea;bis(1-(1H-indazol-5-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea
• PubChem CID: 159957491
• Molecular Formula: C130H156N24O18S6
• Molecular Weight: 2535.23 g/mol
• Exact Mass: 2533.04
• IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindazol-5-yl)methylsulfonyl]urea;bis(1-(1H-indazol-5-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea
• SMILES: CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)Cc1ccc2[nH]ncc2c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3[nH]ncc3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3[nH]ncc3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cn[nH]c3c2)c(C(C)C)c1.Cn1ncc2cc(CS(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)ccc21.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)Cc1ccc2[nH]ncc2c1
• InChI: InChI=1S/C22H24N4O3S.3C22H28N4O3S.C21H22N4O3S.C21H26N4O3S/c1-26-20-9-8-14(10-17(20)12-23-26)13-30(28,29)25-22(27)24-21-18-6-2-4-15(18)11-16-5-3-7-19(16)21;2*1-13(2)18-8-15(5)9-19(14(3)4)21(18)24-22(27)26-30(28,29)12-16-6-7-20-17(10-16)11-23-25-20;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;26-21(23-20-17-5-1-3-14(17)10-15-4-2-6-18(15)20)25-29(27,28)12-13-7-8-19-16(9-13)11-22-24-19;1-13(2)17-6-5-7-18(14(3)4)20(17)23-21(26)25-29(27,28)12-15-8-9-19-16(10-15)11-22-24-19/h8-12H,2-7,13H2,1H3,(H2,24,25,27);3*6-11,13-14H,12H2,1-5H3,(H,23,25)(H2,24,26,27);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: OCXANQZDJFICAL-UHFFFAOYSA-N
• XLogP: 25.16
• TPSA: 612.84 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2535.23
LogP ≤ 5	25.16
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindazol-5-yl)methylsulfonyl]urea;bis(1-(1H-indazol-5-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea (CID 159957491) is 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindazol-5-yl)methylsulfonyl]urea;bis(1-(1H-indazol-5-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea.

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

The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindazol-5-yl)methylsulfonyl]urea;bis(1-(1H-indazol-5-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)Cc1ccc2[nH]ncc2c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3[nH]ncc3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3[nH]ncc3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cn[nH]c3c2)c(C(C)C)c1.Cn1ncc2cc(CS(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)ccc21.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)Cc1ccc2[nH]ncc2c1.

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

The InChIKey is OCXANQZDJFICAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S.3C22H28N4O3S.C21H22N4O3S.C21H26N4O3S/c1-26-20-9-8-14(10-17(20)12-23-26)13-30(28,29)25-22(27)24-21-18-6-2-4-15(18)11-16-5-3-7-19(16)21;2*1-13(2)18-8-15(5)9-19(14(3)4)21(18)24-22(27)26-30(28,29)12-16-6-7-20-17(10-16)11-23-25-20;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;26-21(23-20-17-5-1-3-14(17)10-15-4-2-6-18(15)20)25-29(27,28)12-13-7-8-19-16(9-13)11-22-24-19;1-13(2)17-6-5-7-18(14(3)4)20(17)23-21(26)25-29(27,28)12-15-8-9-19-16(10-15)11-22-24-19/h8-12H,2-7,13H2,1H3,(H2,24,25,27);3*6-11,13-14H,12H2,1-5H3,(H,23,25)(H2,24,26,27);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-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindazol-5-yl)methylsulfonyl]urea;bis(1-(1H-indazol-5-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea?

1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindazol-5-yl)methylsulfonyl]urea;bis(1-(1H-indazol-5-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea has a molecular weight of 2535.23 g/mol, XLogP of 25.16, 32 rotatable bonds, 17 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindazol-5-yl)methylsulfonyl]urea;bis(1-(1H-indazol-5-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea is sourced from PubChem (CID 159957491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).