Chemical ID: 6149842

c1ccc(c(c1)F)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3
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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