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Chemical ID: 6349264
Chemical ID:
6349264
Name [?]:
N-(1-adamantyl)-2,5-dichloro-benzenesulfonamide
SMILES [?]:
c1cc(c(cc1Cl)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3)Cl
InChi [?]:
InChI=1/C16H19Cl2NO2S/c17-13-1-2-14(18)15(6-13)22(20,21)19-16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12,19H,3-5,7-9H2
InChi Info:
AuxInfo=1/0/N:1,2,15,18,20,5,17,13,21,16,14,19,6,3,4,12,7,22,11,9,10,8/E:(3,4,5)(7,8,9)(10,11,12)(20,21)/CRV:22.6/rA:22nCCCCCCClSOONCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;d8;s8;s11;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19Cl2NO2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.95898 |
Area: | 468.516 |
Solvation: | -1.75393 |
Coulombic: | -13.8774 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 360.299 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.99 |
LogP (Chemaxon): | 3.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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