About Tert-butyl 3-(3,6-dichlorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
Tert-butyl 3-(3,6-dichlorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate (PubChem CID 135316018) has the molecular formula C29H28Cl2F3N3O6S
and a molecular weight of 674.50 g/mol. Its IUPAC name is tert-butyl 3-(3,6-dichlorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate.
Molecular Properties
| Compound Name | Tert-butyl 3-(3,6-dichlorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate |
|---|
| PubChem CID | 135316018 |
|---|
| Molecular Formula | C29H28Cl2F3N3O6S |
|---|
| Molecular Weight | 674.50 g/mol |
|---|
| Exact Mass | 673.10 |
|---|
| IUPAC Name | tert-butyl 3-(3,6-dichlorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate |
|---|
| SMILES | CC(C)(C)OC(=O)N1CC(C(C(C1)N2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O)NS(=O)(=O)C5=CC=C(C=C5)OC(F)(F)F |
|---|
| InChI | InChI=1S/C29H28Cl2F3N3O6S/c1-28(2,3)43-27(39)36-14-22(35-44(40,41)19-8-6-18(7-9-19)42-29(32,33)34)26(38)25(15-36)37-23-10-4-16(30)12-20(23)21-13-17(31)5-11-24(21)37/h4-13,22,25-26,35,38H,14-15H2,1-3H3 |
|---|
| InChIKey | AREQMEZIZYLOBF-UHFFFAOYSA-N |
|---|
| XLogP | 6.50 |
|---|
| TPSA | 118.00 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 10 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 44 |
|---|
| Complexity | 1100 |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 674.50 |
| LogP ≤ 5 | 6.50 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze Tert-butyl 3-(3,6-dichlorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of Tert-butyl 3-(3,6-dichlorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of Tert-butyl 3-(3,6-dichlorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate (CID 135316018) is tert-butyl 3-(3,6-dichlorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for Tert-butyl 3-(3,6-dichlorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for Tert-butyl 3-(3,6-dichlorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C(C(C1)N2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O)NS(=O)(=O)C5=CC=C(C=C5)OC(F)(F)F.
What is the InChIKey of Tert-butyl 3-(3,6-dichlorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate?
The InChIKey is AREQMEZIZYLOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2F3N3O6S/c1-28(2,3)43-27(39)36-14-22(35-44(40,41)19-8-6-18(7-9-19)42-29(32,33)34)26(38)25(15-36)37-23-10-4-16(30)12-20(23)21-13-17(31)5-11-24(21)37/h4-13,22,25-26,35,38H,14-15H2,1-3H3.
What are the key properties of Tert-butyl 3-(3,6-dichlorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate?
Tert-butyl 3-(3,6-dichlorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate has a molecular weight of 674.50 g/mol, XLogP of 6.50, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl 3-(3,6-dichlorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 135316018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).