N-Methyl-N-(2-(((2-((2-oxo-2,3-dihydro-1H-indol-5-yl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)methyl)phenyl)methanesulfonamide
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CAS Number 717906-29-1
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Catalog Number io-406981
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Molecular Weight 506.5000
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SMILES
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N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]phenyl]methanesulfonamide is a sulfonamide.
| 1 | DTXSID50469204 |
| 2 | N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide |
| 3 | N-Methyl-N-(2-(((2-((2-oxo-2,3-dihydro-1H-indol-5-yl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)methyl)phenyl)methanesulfonamide |
| 4 | RefChem:1091921 |
| 5 | DTXCID60420023 |
| Molecular Formula | C22H21F3N6O3S |
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| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 506.5000 |
| InChIKey | POJZIZBONPAWIV-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30) |
| XLogP | 2.8000 |
| ExactMass | 506.1348 |
| MonoisotopicMass | 506.1348 |
| TPSA | 125.0000 |
| Complexity | 854.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 3 |
| HBondAcceptorCount | 11 |
| RotatableBondCount | 7 |
| HeavyAtomCount | 35 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 131 |
| PatentFamilyCount | 53 |
| LiteratureCount | 15 |
