1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea

C120H135N19O15S5 — CID 157419357

About 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea

1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea (PubChem CID 157419357) has the molecular formula C120H135N19O15S5 and a molecular weight of 2243.85 g/mol. Its IUPAC name is 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea.

Molecular Properties

• Compound Name: 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea
• PubChem CID: 157419357
• Molecular Formula: C120H135N19O15S5
• Molecular Weight: 2243.85 g/mol
• Exact Mass: 2241.90
• IUPAC Name: 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea
• SMILES: CC(C)n1ccc(CN(Cc2ccccc2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.Cn1ccc(CN(Cc2ccccc2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.Cn1ccc2cc(CS(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)ccc21.Cn1ccc2ccc(CS(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cc21.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)Cc1ccc2cc[nH]c2c1
• InChI: InChI=1S/C27H33N5O3S.C25H29N5O3S.2C23H25N3O3S.C22H23N3O3S/c1-19(2)32-15-14-23(29-32)18-31(17-20-8-4-3-5-9-20)36(34,35)30-27(33)28-26-24-12-6-10-21(24)16-22-11-7-13-25(22)26;1-29-14-13-21(27-29)17-30(16-18-7-3-2-4-8-18)34(32,33)28-25(31)26-24-22-11-5-9-19(22)15-20-10-6-12-23(20)24;1-26-11-10-16-9-8-15(12-21(16)26)14-30(28,29)25-23(27)24-22-19-6-2-4-17(19)13-18-5-3-7-20(18)22;1-26-11-10-18-12-15(8-9-21(18)26)14-30(28,29)25-23(27)24-22-19-6-2-4-16(19)13-17-5-3-7-20(17)22;26-22(24-21-18-5-1-3-16(18)12-17-4-2-6-19(17)21)25-29(27,28)13-14-7-8-15-9-10-23-20(15)11-14/h3-5,8-9,14-16,19H,6-7,10-13,17-18H2,1-2H3,(H2,28,30,33);2-4,7-8,13-15H,5-6,9-12,16-17H2,1H3,(H2,26,28,31);2*8-13H,2-7,14H2,1H3,(H2,24,25,27);7-12,23H,1-6,13H2,(H2,24,25,26)
• InChIKey: BPFMWDDRIVLROJ-UHFFFAOYSA-N
• XLogP: 19.39
• TPSA: 444.12 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 27
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2243.85
LogP ≤ 5	19.39
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea?

The IUPAC name of 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea (CID 157419357) is 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea.

What is the SMILES notation for 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea?

The canonical SMILES for 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea is CC(C)n1ccc(CN(Cc2ccccc2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.Cn1ccc(CN(Cc2ccccc2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.Cn1ccc2cc(CS(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)ccc21.Cn1ccc2ccc(CS(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cc21.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)Cc1ccc2cc[nH]c2c1.

What is the InChIKey of 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea?

The InChIKey is BPFMWDDRIVLROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3S.C25H29N5O3S.2C23H25N3O3S.C22H23N3O3S/c1-19(2)32-15-14-23(29-32)18-31(17-20-8-4-3-5-9-20)36(34,35)30-27(33)28-26-24-12-6-10-21(24)16-22-11-7-13-25(22)26;1-29-14-13-21(27-29)17-30(16-18-7-3-2-4-8-18)34(32,33)28-25(31)26-24-22-11-5-9-19(22)15-20-10-6-12-23(20)24;1-26-11-10-16-9-8-15(12-21(16)26)14-30(28,29)25-23(27)24-22-19-6-2-4-17(19)13-18-5-3-7-20(18)22;1-26-11-10-18-12-15(8-9-21(18)26)14-30(28,29)25-23(27)24-22-19-6-2-4-16(19)13-17-5-3-7-20(17)22;26-22(24-21-18-5-1-3-16(18)12-17-4-2-6-19(17)21)25-29(27,28)13-14-7-8-15-9-10-23-20(15)11-14/h3-5,8-9,14-16,19H,6-7,10-13,17-18H2,1-2H3,(H2,28,30,33);2-4,7-8,13-15H,5-6,9-12,16-17H2,1H3,(H2,26,28,31);2*8-13H,2-7,14H2,1H3,(H2,24,25,27);7-12,23H,1-6,13H2,(H2,24,25,26).

What are the key properties of 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea?

1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea has a molecular weight of 2243.85 g/mol, XLogP of 19.39, 27 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea is sourced from PubChem (CID 157419357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).