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Chemical ID: 5387898
Chemical ID:
5387898
Name [?]:
N-cyclooctyl-3,4-dimethyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1C)S(=O)(=O)NC2CCCCCCC2
InChi [?]:
InChI=1/C16H25NO2S/c1-13-10-11-16(12-14(13)2)20(18,19)17-15-8-6-4-3-5-7-9-15/h10-12,15,17H,3-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,17,16,18,15,19,14,20,3,4,6,2,7,13,5,12,10,11,9/E:(4,5)(6,7)(8,9)(18,19)/CRV:20.6/rA:20nCCCCCCCCSOONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;d9;s9;s12;s13;s14;s15;s16;s17;s18;s13s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91112 |
Area: | 460.388 |
Solvation: | -1.59858 |
Coulombic: | -14.4101 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 295.441 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.71 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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