About (5S)-5-(2-chlorophenyl)sulfonyl-1-propan-2-yl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one
(5S)-5-(2-chlorophenyl)sulfonyl-1-propan-2-yl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one (PubChem CID 68720203) has the molecular formula C23H25ClF3N5O4S
and a molecular weight of 560.00 g/mol. Its IUPAC name is (5S)-5-(2-chlorophenyl)sulfonyl-1-propan-2-yl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one.
Molecular Properties
| Compound Name | (5S)-5-(2-chlorophenyl)sulfonyl-1-propan-2-yl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one |
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| PubChem CID | 68720203 |
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| Molecular Formula | C23H25ClF3N5O4S |
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| Molecular Weight | 560.00 g/mol |
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| Exact Mass | 559.13 |
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| IUPAC Name | (5S)-5-(2-chlorophenyl)sulfonyl-1-propan-2-yl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one |
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| SMILES | CC(C)N1C(=O)NC[C@@]1(C(=O)N1CCN(c2ncccc2C(F)(F)F)CC1)S(=O)(=O)c1ccccc1Cl |
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| InChI | InChI=1S/C23H25ClF3N5O4S/c1-15(2)32-21(34)29-14-22(32,37(35,36)18-8-4-3-7-17(18)24)20(33)31-12-10-30(11-13-31)19-16(23(25,26)27)6-5-9-28-19/h3-9,15H,10-14H2,1-2H3,(H,29,34)/t22-/m0/s1 |
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| InChIKey | WAMCNOPNDXLJEC-QFIPXVFZSA-N |
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| XLogP | 3.01 |
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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 | 560.00 |
| LogP ≤ 5 | 3.01 |
| 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-propan-2-yl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one?
The IUPAC name of (5S)-5-(2-chlorophenyl)sulfonyl-1-propan-2-yl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one (CID 68720203) is (5S)-5-(2-chlorophenyl)sulfonyl-1-propan-2-yl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one.
What is the SMILES notation for (5S)-5-(2-chlorophenyl)sulfonyl-1-propan-2-yl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one?
The canonical SMILES for (5S)-5-(2-chlorophenyl)sulfonyl-1-propan-2-yl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one is CC(C)N1C(=O)NC[C@@]1(C(=O)N1CCN(c2ncccc2C(F)(F)F)CC1)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of (5S)-5-(2-chlorophenyl)sulfonyl-1-propan-2-yl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one?
The InChIKey is WAMCNOPNDXLJEC-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H25ClF3N5O4S/c1-15(2)32-21(34)29-14-22(32,37(35,36)18-8-4-3-7-17(18)24)20(33)31-12-10-30(11-13-31)19-16(23(25,26)27)6-5-9-28-19/h3-9,15H,10-14H2,1-2H3,(H,29,34)/t22-/m0/s1.
What are the key properties of (5S)-5-(2-chlorophenyl)sulfonyl-1-propan-2-yl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one?
(5S)-5-(2-chlorophenyl)sulfonyl-1-propan-2-yl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one has a molecular weight of 560.00 g/mol, XLogP of 3.01, 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-propan-2-yl-5-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]imidazolidin-2-one is sourced from PubChem (CID 68720203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).