General Information of the Compound
| Compound ID |
CP0462495
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| Compound Name |
N-(4-nitro-2-nonoxyphenyl)methanesulfonamide
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| Synonyms |
BDBM50182532
CHEMBL202469
N-(2-nonyloxy-4-nitrophenyl)methanesulfonamide
SCHEMBL3295100
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| Structure |
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| Formula |
C16H26N2O5S
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| Molecular Weight |
358.46
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| Canonical SMILES |
CCCCCCCCCOc1cc(ccc1NS(C)(=O)=O)[N+]([O-])=O
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| InChI |
InChI=1S/C16H26N2O5S/c1-3-4-5-6-7-8-9-12-23-16-13-14(18(19)20)10-11-15(16)17-24(2,21)22/h10-11,13,17H,3-9,12H2,1-2H3
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| InChIKey |
QXUZIGSBVCSGCD-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