About N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide
N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 57377299) has the molecular formula C24H16BrF4N5O2S
and a molecular weight of 594.39 g/mol. Its IUPAC name is N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide.
Molecular Properties
| Compound Name | N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide |
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| PubChem CID | 57377299 |
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| Molecular Formula | C24H16BrF4N5O2S |
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| Molecular Weight | 594.39 g/mol |
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| Exact Mass | 593.01 |
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| IUPAC Name | N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide |
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| SMILES | O=S(=O)(c1ccc(-n2cccn2)cc1)N(Cc1ccc(F)c(C(F)(F)F)c1)c1nc2ccccn2c1Br |
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| InChI | InChI=1S/C24H16BrF4N5O2S/c25-22-23(31-21-4-1-2-12-32(21)22)34(15-16-5-10-20(26)19(14-16)24(27,28)29)37(35,36)18-8-6-17(7-9-18)33-13-3-11-30-33/h1-14H,15H2 |
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| InChIKey | FNLMCXQJDKAPKY-UHFFFAOYSA-N |
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| XLogP | 5.84 |
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| TPSA | 72.50 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 594.39 |
| LogP ≤ 5 | 5.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide (CID 57377299) is N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(c1ccc(-n2cccn2)cc1)N(Cc1ccc(F)c(C(F)(F)F)c1)c1nc2ccccn2c1Br.
What is the InChIKey of N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is FNLMCXQJDKAPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrF4N5O2S/c25-22-23(31-21-4-1-2-12-32(21)22)34(15-16-5-10-20(26)19(14-16)24(27,28)29)37(35,36)18-8-6-17(7-9-18)33-13-3-11-30-33/h1-14H,15H2.
What are the key properties of N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide?
N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 594.39 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 57377299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).