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Chemical ID: 6838522
Chemical ID:
6838522
Name [?]:
5-isopropyl-2-methyl-N-(1H-pyridin-2-yl)benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)Nc2cccc[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)/p+1
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:20nCCCCCCCSOONCCCCCN+CCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s5;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19N2O2S+ |
All Atoms: | 39 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.0257 |
Area: | 465.122 |
Solvation: | -34.6537 |
Coulombic: | -4.14087 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.82 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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