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Chemical ID: 6140213
Chemical ID:
6140213
Name [?]:
N-cyclohexyl-N,3,4-trimethyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1C)S(=O)(=O)N(C)C2CCCCC2
InChi [?]:
InChI=1/C15H23NO2S/c1-12-9-10-15(11-13(12)2)19(17,18)16(3)14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,13,17,16,18,15,19,3,4,6,2,7,14,5,12,10,11,9/E:(5,6)(7,8)(17,18)/CRV:19.6/rA:19cCCCCCCCCSOONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;d9;s9;s12;s12;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.91659 |
Area: | 461.884 |
Solvation: | -1.63052 |
Coulombic: | -9.13689 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.415 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.81 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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