General Information of the Compound
| Compound ID |
CP0313783
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| Compound Name |
4-[5-(3-Iodophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
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| Structure |
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| Formula |
C16H11F3IN3O2S
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| Molecular Weight |
493.248
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| Canonical SMILES |
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccc(I)c1)C(F)(F)F
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| InChI |
InChI=1S/C16H11F3IN3O2S/c17-16(18,19)15-9-14(10-2-1-3-11(20)8-10)23(22-15)12-4-6-13(7-5-12)26(21,24)25/h1-9H,(H2,21,24,25)
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| InChIKey |
AJGSEJWZBVVWIB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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