About (5S)-5-(2-chlorophenyl)sulfonyl-1-cyclopropyl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one
(5S)-5-(2-chlorophenyl)sulfonyl-1-cyclopropyl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one (PubChem CID 68720597) has the molecular formula C23H23ClF3N5O4S
and a molecular weight of 557.98 g/mol. Its IUPAC name is (5S)-5-(2-chlorophenyl)sulfonyl-1-cyclopropyl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one.
Molecular Properties
| Compound Name | (5S)-5-(2-chlorophenyl)sulfonyl-1-cyclopropyl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one |
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| PubChem CID | 68720597 |
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| Molecular Formula | C23H23ClF3N5O4S |
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| Molecular Weight | 557.98 g/mol |
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| Exact Mass | 557.11 |
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| IUPAC Name | (5S)-5-(2-chlorophenyl)sulfonyl-1-cyclopropyl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one |
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| SMILES | O=C1NC[C@@](C(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)(S(=O)(=O)c2ccccc2Cl)N1C1CC1 |
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| InChI | InChI=1S/C23H23ClF3N5O4S/c24-17-5-1-2-6-18(17)37(35,36)22(14-29-21(34)32(22)15-7-8-15)20(33)31-12-10-30(11-13-31)19-16(23(25,26)27)4-3-9-28-19/h1-6,9,15H,7-8,10-14H2,(H,29,34)/t22-/m0/s1 |
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| InChIKey | UVENANAKQBDDBK-QFIPXVFZSA-N |
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| XLogP | 2.76 |
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| TPSA | 102.92 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 557.98 |
| LogP ≤ 5 | 2.76 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of (5S)-5-(2-chlorophenyl)sulfonyl-1-cyclopropyl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one?
The IUPAC name of (5S)-5-(2-chlorophenyl)sulfonyl-1-cyclopropyl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one (CID 68720597) is (5S)-5-(2-chlorophenyl)sulfonyl-1-cyclopropyl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one.
What is the SMILES notation for (5S)-5-(2-chlorophenyl)sulfonyl-1-cyclopropyl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one?
The canonical SMILES for (5S)-5-(2-chlorophenyl)sulfonyl-1-cyclopropyl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one is O=C1NC[C@@](C(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)(S(=O)(=O)c2ccccc2Cl)N1C1CC1.
What is the InChIKey of (5S)-5-(2-chlorophenyl)sulfonyl-1-cyclopropyl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one?
The InChIKey is UVENANAKQBDDBK-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23ClF3N5O4S/c24-17-5-1-2-6-18(17)37(35,36)22(14-29-21(34)32(22)15-7-8-15)20(33)31-12-10-30(11-13-31)19-16(23(25,26)27)4-3-9-28-19/h1-6,9,15H,7-8,10-14H2,(H,29,34)/t22-/m0/s1.
What are the key properties of (5S)-5-(2-chlorophenyl)sulfonyl-1-cyclopropyl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one?
(5S)-5-(2-chlorophenyl)sulfonyl-1-cyclopropyl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one has a molecular weight of 557.98 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-chlorophenyl)sulfonyl-1-cyclopropyl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one is sourced from PubChem (CID 68720597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).