2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-iodobenzamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide;1-methylcyclopropane-1-sulfonamide

C56H77IN8O10S4 — CID 167605312

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-iodobenzamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide;1-methylcyclopropane-1-sulfonamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-iodobenzamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide;1-methylcyclopropane-1-sulfonamide (PubChem CID 167605312) has the molecular formula C56H77IN8O10S4 and a molecular weight of 1277.45 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-iodobenzamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide;1-methylcyclopropane-1-sulfonamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-iodobenzamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide;1-methylcyclopropane-1-sulfonamide
• PubChem CID: 167605312
• Molecular Formula: C56H77IN8O10S4
• Molecular Weight: 1277.45 g/mol
• Exact Mass: 1276.37
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-iodobenzamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide;1-methylcyclopropane-1-sulfonamide
• SMILES: CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(I)cc2N2CCC3(CC2)CC3)c1.CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)C3(C)CC3)cc2N2CCC3(CC2)CC3)c1.CC1(S(N)(=O)=O)CC1
• InChI: InChI=1S/C28H38N4O5S2.C24H30IN3O3S.C4H9NO2S/c1-26(2,3)31-38(34,35)22-7-5-6-20(18-22)29-25(33)23-9-8-21(30-39(36,37)27(4)10-11-27)19-24(23)32-16-14-28(12-13-28)15-17-32;1-23(2,3)27-32(30,31)19-6-4-5-18(16-19)26-22(29)20-8-7-17(25)15-21(20)28-13-11-24(9-10-24)12-14-28;1-4(2-3-4)8(5,6)7/h5-9,18-19,30-31H,10-17H2,1-4H3,(H,29,33);4-8,15-16,27H,9-14H2,1-3H3,(H,26,29);2-3H2,1H3,(H2,5,6,7)
• InChIKey: KHMHXOKUGODXCL-UHFFFAOYSA-N
• XLogP: 9.52
• TPSA: 263.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1277.45
LogP ≤ 5	9.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-iodobenzamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide;1-methylcyclopropane-1-sulfonamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-iodobenzamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide;1-methylcyclopropane-1-sulfonamide (CID 167605312) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-iodobenzamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide;1-methylcyclopropane-1-sulfonamide.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-iodobenzamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide;1-methylcyclopropane-1-sulfonamide?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-iodobenzamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide;1-methylcyclopropane-1-sulfonamide is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(I)cc2N2CCC3(CC2)CC3)c1.CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)C3(C)CC3)cc2N2CCC3(CC2)CC3)c1.CC1(S(N)(=O)=O)CC1.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-iodobenzamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide;1-methylcyclopropane-1-sulfonamide?

The InChIKey is KHMHXOKUGODXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O5S2.C24H30IN3O3S.C4H9NO2S/c1-26(2,3)31-38(34,35)22-7-5-6-20(18-22)29-25(33)23-9-8-21(30-39(36,37)27(4)10-11-27)19-24(23)32-16-14-28(12-13-28)15-17-32;1-23(2,3)27-32(30,31)19-6-4-5-18(16-19)26-22(29)20-8-7-17(25)15-21(20)28-13-11-24(9-10-24)12-14-28;1-4(2-3-4)8(5,6)7/h5-9,18-19,30-31H,10-17H2,1-4H3,(H,29,33);4-8,15-16,27H,9-14H2,1-3H3,(H,26,29);2-3H2,1H3,(H2,5,6,7).

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-iodobenzamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide;1-methylcyclopropane-1-sulfonamide?

2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-iodobenzamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide;1-methylcyclopropane-1-sulfonamide has a molecular weight of 1277.45 g/mol, XLogP of 9.52, 14 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-iodobenzamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide;1-methylcyclopropane-1-sulfonamide is sourced from PubChem (CID 167605312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).