About (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 126668609) has the molecular formula C24H22F4N4O4S
and a molecular weight of 538.52 g/mol. Its IUPAC name is (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide.
Molecular Properties
| Compound Name | (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide |
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| PubChem CID | 126668609 |
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| Molecular Formula | C24H22F4N4O4S |
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| Molecular Weight | 538.52 g/mol |
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| Exact Mass | 538.13 |
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| IUPAC Name | (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide |
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| SMILES | O=S(=O)(Nc1ncc(F)cn1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1N1CCOCC1 |
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| InChI | InChI=1S/C24H22F4N4O4S/c25-16-13-29-23(30-14-16)31-37(33,34)17-2-4-20-18(5-8-36-22(20)12-17)19-3-1-15(24(26,27)28)11-21(19)32-6-9-35-10-7-32/h1-4,11-14,18H,5-10H2,(H,29,30,31)/t18-/m1/s1 |
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| InChIKey | TUCOHLYYACEFAZ-GOSISDBHSA-N |
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| XLogP | 4.19 |
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| TPSA | 93.65 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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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 | 538.52 |
| LogP ≤ 5 | 4.19 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?
The IUPAC name of (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide (CID 126668609) is (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide.
What is the SMILES notation for (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?
The canonical SMILES for (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide is O=S(=O)(Nc1ncc(F)cn1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1N1CCOCC1.
What is the InChIKey of (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?
The InChIKey is TUCOHLYYACEFAZ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H22F4N4O4S/c25-16-13-29-23(30-14-16)31-37(33,34)17-2-4-20-18(5-8-36-22(20)12-17)19-3-1-15(24(26,27)28)11-21(19)32-6-9-35-10-7-32/h1-4,11-14,18H,5-10H2,(H,29,30,31)/t18-/m1/s1.
What are the key properties of (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?
(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 538.52 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 126668609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).