3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxylic acid

C104H134F12N16O17S4 — CID 167551903

About 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxylic acid

3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxylic acid (PubChem CID 167551903) has the molecular formula C104H134F12N16O17S4 and a molecular weight of 2236.55 g/mol. Its IUPAC name is 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxylic acid
• PubChem CID: 167551903
• Molecular Formula: C104H134F12N16O17S4
• Molecular Weight: 2236.55 g/mol
• Exact Mass: 2234.88
• IUPAC Name: 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxylic acid
• SMILES: CC(C)(C)NS(=O)(=O)c1cccc(N)c1.CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(C)(O)C(F)(F)F)nc2N2CCC3(CC2)CC3)c1.CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc([C@@](C)(O)C(F)(F)F)nc2N2CCC3(CC2)CC3)c1.CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc([C@](C)(O)C(F)(F)F)nc2N2CCC3(CC2)CC3)c1.CC(O)(c1ccc(C(=O)O)c(N2CCC3(CC2)CC3)n1)C(F)(F)F
• InChI: InChI=1S/3C26H33F3N4O4S.C16H19F3N2O3.C10H16N2O2S/c3*1-23(2,3)32-38(36,37)18-7-5-6-17(16-18)30-22(34)19-8-9-20(24(4,35)26(27,28)29)31-21(19)33-14-12-25(10-11-25)13-15-33;1-14(24,16(17,18)19)11-3-2-10(13(22)23)12(20-11)21-8-6-15(4-5-15)7-9-21;1-10(2,3)12-15(13,14)9-6-4-5-8(11)7-9/h3*5-9,16,32,35H,10-15H2,1-4H3,(H,30,34);2-3,24H,4-9H2,1H3,(H,22,23);4-7,12H,11H2,1-3H3/t2*24-;;;/m10.../s1
• InChIKey: CNAVJBDZBCJKBI-VGTLASCPSA-N
• XLogP: 17.96
• TPSA: 480.74 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2236.55
LogP ≤ 5	17.96
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxylic acid?

The IUPAC name of 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxylic acid (CID 167551903) is 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxylic acid.

What is the SMILES notation for 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxylic acid?

The canonical SMILES for 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxylic acid is CC(C)(C)NS(=O)(=O)c1cccc(N)c1.CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(C)(O)C(F)(F)F)nc2N2CCC3(CC2)CC3)c1.CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc([C@@](C)(O)C(F)(F)F)nc2N2CCC3(CC2)CC3)c1.CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc([C@](C)(O)C(F)(F)F)nc2N2CCC3(CC2)CC3)c1.CC(O)(c1ccc(C(=O)O)c(N2CCC3(CC2)CC3)n1)C(F)(F)F.

What is the InChIKey of 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxylic acid?

The InChIKey is CNAVJBDZBCJKBI-VGTLASCPSA-N. The full InChI is InChI=1S/3C26H33F3N4O4S.C16H19F3N2O3.C10H16N2O2S/c3*1-23(2,3)32-38(36,37)18-7-5-6-17(16-18)30-22(34)19-8-9-20(24(4,35)26(27,28)29)31-21(19)33-14-12-25(10-11-25)13-15-33;1-14(24,16(17,18)19)11-3-2-10(13(22)23)12(20-11)21-8-6-15(4-5-15)7-9-21;1-10(2,3)12-15(13,14)9-6-4-5-8(11)7-9/h3*5-9,16,32,35H,10-15H2,1-4H3,(H,30,34);2-3,24H,4-9H2,1H3,(H,22,23);4-7,12H,11H2,1-3H3/t2*24-;;;/m10.../s1.

What are the key properties of 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxylic acid?

3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxylic acid has a molecular weight of 2236.55 g/mol, XLogP of 17.96, 23 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 167551903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).