About N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 44534362) has the molecular formula C29H34F3N5O2S2
and a molecular weight of 605.75 g/mol. Its IUPAC name is N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide.
Molecular Properties
| Compound Name | N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide |
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| PubChem CID | 44534362 |
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| Molecular Formula | C29H34F3N5O2S2 |
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| Molecular Weight | 605.75 g/mol |
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| Exact Mass | 605.21 |
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| IUPAC Name | N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide |
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| SMILES | Cn1nc(-c2ccc(S(=O)(=O)NC3CCC(CN4CCC(c5c[nH]c6ccccc56)CC4)CC3)s2)cc1C(F)(F)F |
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| InChI | InChI=1S/C29H34F3N5O2S2/c1-36-27(29(30,31)32)16-25(34-36)26-10-11-28(40-26)41(38,39)35-21-8-6-19(7-9-21)18-37-14-12-20(13-15-37)23-17-33-24-5-3-2-4-22(23)24/h2-5,10-11,16-17,19-21,33,35H,6-9,12-15,18H2,1H3 |
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| InChIKey | JQMSAGHHYQYKNV-UHFFFAOYSA-N |
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| XLogP | 6.37 |
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| TPSA | 83.02 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 605.75 |
| LogP ≤ 5 | 6.37 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide (CID 44534362) is N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide is Cn1nc(-c2ccc(S(=O)(=O)NC3CCC(CN4CCC(c5c[nH]c6ccccc56)CC4)CC3)s2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is JQMSAGHHYQYKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F3N5O2S2/c1-36-27(29(30,31)32)16-25(34-36)26-10-11-28(40-26)41(38,39)35-21-8-6-19(7-9-21)18-37-14-12-20(13-15-37)23-17-33-24-5-3-2-4-22(23)24/h2-5,10-11,16-17,19-21,33,35H,6-9,12-15,18H2,1H3.
What are the key properties of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 605.75 g/mol, XLogP of 6.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 44534362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).