General Information of the Compound
| Compound ID |
CP0121511
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| Compound Name |
2-chloro-5-nitro-N-propan-2-yl-N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C18H18ClF3N2O5S
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| Molecular Weight |
466.865
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| Canonical SMILES |
CC(C)N(c1ccc(cc1)C(C)(O)C(F)(F)F)S(=O)(=O)c1cc(ccc1Cl)[N+]([O-])=O
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| InChI |
InChI=1S/C18H18ClF3N2O5S/c1-11(2)23(13-6-4-12(5-7-13)17(3,25)18(20,21)22)30(28,29)16-10-14(24(26)27)8-9-15(16)19/h4-11,25H,1-3H3
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| InChIKey |
VJPWMKBQLPVWFS-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound