About N-(2-methylpropyl)-5-(1-methylsulfonylpiperidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-sulfonamide
N-(2-methylpropyl)-5-(1-methylsulfonylpiperidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-sulfonamide (PubChem CID 118724654) has the molecular formula C23H30F3N3O5S2
and a molecular weight of 549.64 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-(1-methylsulfonylpiperidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-sulfonamide.
Molecular Properties
| Compound Name | N-(2-methylpropyl)-5-(1-methylsulfonylpiperidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-sulfonamide |
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| PubChem CID | 118724654 |
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| Molecular Formula | C23H30F3N3O5S2 |
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| Molecular Weight | 549.64 g/mol |
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| Exact Mass | 549.16 |
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| IUPAC Name | N-(2-methylpropyl)-5-(1-methylsulfonylpiperidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-sulfonamide |
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| SMILES | CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)cn1 |
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| InChI | InChI=1S/C23H30F3N3O5S2/c1-17(2)15-29(16-18-6-4-5-7-21(18)23(24,25)26)36(32,33)22-9-8-20(14-27-22)34-19-10-12-28(13-11-19)35(3,30)31/h4-9,14,17,19H,10-13,15-16H2,1-3H3 |
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| InChIKey | NQZVKYGHMFGQDB-UHFFFAOYSA-N |
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| XLogP | 3.75 |
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| TPSA | 96.88 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 549.64 |
| LogP ≤ 5 | 3.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of N-(2-methylpropyl)-5-(1-methylsulfonylpiperidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-sulfonamide?
The IUPAC name of N-(2-methylpropyl)-5-(1-methylsulfonylpiperidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-sulfonamide (CID 118724654) is N-(2-methylpropyl)-5-(1-methylsulfonylpiperidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-5-(1-methylsulfonylpiperidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)-5-(1-methylsulfonylpiperidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-sulfonamide is CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)cn1.
What is the InChIKey of N-(2-methylpropyl)-5-(1-methylsulfonylpiperidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-sulfonamide?
The InChIKey is NQZVKYGHMFGQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N3O5S2/c1-17(2)15-29(16-18-6-4-5-7-21(18)23(24,25)26)36(32,33)22-9-8-20(14-27-22)34-19-10-12-28(13-11-19)35(3,30)31/h4-9,14,17,19H,10-13,15-16H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-5-(1-methylsulfonylpiperidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-sulfonamide?
N-(2-methylpropyl)-5-(1-methylsulfonylpiperidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-sulfonamide has a molecular weight of 549.64 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-(1-methylsulfonylpiperidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 118724654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).