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Chemical ID: 4456515
Chemical ID:
4456515
Name [?]:
N-cyclohexyl-4-fluoro-N,3-dimethyl-benzenesulfonamide
SMILES [?]:
Cc1cc(ccc1F)S(=O)(=O)N(C)C2CCCCC2
InChi [?]:
InChI=1/C14H20FNO2S/c1-11-10-13(8-9-14(11)15)19(17,18)16(2)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,17,16,18,15,19,5,6,3,2,14,4,7,8,12,10,11,9/E:(4,5)(6,7)(17,18)/CRV:19.6/rA:19cCCCCCCCFSOONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;d9;d9;s9;s12;s12;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20FNO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.70706 |
Area: | 448.011 |
Solvation: | -2.49322 |
Coulombic: | -12.0302 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 285.379 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.33 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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