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Chemical ID: 6149842
Chemical ID:
6149842
Name [?]:
N-(1-adamantyl)-2-fluoro-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)F)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C16H20FNO2S/c17-14-3-1-2-4-15(14)21(19,20)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,18H,5-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,15,18,20,17,13,21,16,14,19,5,4,12,7,11,9,10,8/E:(5,6,7)(8,9,10)(11,12,13)(19,20)/CRV:21.6/rA:21nCCCCCCFSOONCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;d8;s8;s11;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20FNO2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.98792 |
Area: | 422.139 |
Solvation: | -2.56557 |
Coulombic: | -17.3309 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 309.4 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.91 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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