General Information of the Compound
| Compound ID |
CP0083426
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| Compound Name |
N,N,2-trimethyl-5-nitrobenzenesulfonamide
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| Synonyms |
BRL 50481
BRL-50481
BRL50481
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| Structure |
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| Formula |
C9H12N2O4S
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| Molecular Weight |
244.272
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| Canonical SMILES |
CN(C)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
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| InChI |
InChI=1S/C9H12N2O4S/c1-7-4-5-8(11(12)13)6-9(7)16(14,15)10(2)3/h4-6H,1-3H3
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| InChIKey |
IFIUFCJFLGCQPH-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
Clinical Information about the Compound