About [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone (PubChem CID 39705403) has the molecular formula C21H20ClFN4O3S2
and a molecular weight of 495.00 g/mol. Its IUPAC name is [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone.
Molecular Properties
| Compound Name | [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone |
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| PubChem CID | 39705403 |
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| Molecular Formula | C21H20ClFN4O3S2 |
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| Molecular Weight | 495.00 g/mol |
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| Exact Mass | 494.06 |
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| IUPAC Name | [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone |
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| SMILES | O=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 |
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| InChI | InChI=1S/C21H20ClFN4O3S2/c22-18-8-9-19(31-18)32(29,30)26-12-10-25(11-13-26)21(28)20-14-4-3-7-16(14)27(24-20)17-6-2-1-5-15(17)23/h1-2,5-6,8-9H,3-4,7,10-13H2 |
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| InChIKey | VKQJRLBBMIWWTA-UHFFFAOYSA-N |
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| XLogP | 3.36 |
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| TPSA | 75.51 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 495.00 |
| LogP ≤ 5 | 3.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
The IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone (CID 39705403) is [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
The canonical SMILES for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone is O=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
The InChIKey is VKQJRLBBMIWWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O3S2/c22-18-8-9-19(31-18)32(29,30)26-12-10-25(11-13-26)21(28)20-14-4-3-7-16(14)27(24-20)17-6-2-1-5-15(17)23/h1-2,5-6,8-9H,3-4,7,10-13H2.
What are the key properties of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone has a molecular weight of 495.00 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone is sourced from PubChem (CID 39705403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).