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Chemical ID: 5510443
Chemical ID:
5510443
Name [?]:
N-cyclooctyl-2,4,6-trimethyl-benzenesulfonamide
SMILES [?]:
Cc1cc(c(c(c1)C)S(=O)(=O)NC2CCCCCCC2)C
InChi [?]:
InChI=1/C17H27NO2S/c1-13-11-14(2)17(15(3)12-13)21(19,20)18-16-9-7-5-4-6-8-10-16/h11-12,16,18H,4-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,21,17,16,18,15,19,14,20,7,3,2,6,4,13,5,12,10,11,9/E:(2,3)(5,6)(7,8)(9,10)(11,12)(14,15)(19,20)/CRV:21.6/rA:21nCCCCCCCCSOONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;s14;s15;s16;s17;s18;s13s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27NO2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0113 |
Area: | 459.144 |
Solvation: | -1.46732 |
Coulombic: | -14.678 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 309.468 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.73 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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