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Chemical ID: 6838523
Chemical ID:
6838523
Name [?]:
5-isopropyl-2-methyl-N-(1H-pyridin-2-ylidene)benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)N=c2cccc[nH]2)C(C)C
InChi [?]:
InChI=1/C15H18N2O2S/c1-11(2)13-8-7-12(3)14(10-13)20(18,19)17-15-6-4-5-9-16-15/h4-11H,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:19,20,1,14,15,13,3,4,16,6,18,2,5,7,12,17,11,9,10,8/E:(1,2)(18,19)/CRV:20.6/rA:20nCCCCCCCSOONCCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;w11;s12;d13;s14;d15;s12s16;s5;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O2S |
All Atoms: | 38 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3157 |
Area: | 474.233 |
Solvation: | -1.54014 |
Coulombic: | -20.491 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 290.382 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.58 |
LogP (Chemaxon): | 3.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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