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Chemical ID: 4067792
Chemical ID:
4067792
Name [?]:
2,3,5,6-tetramethyl-N-(5-methyl-2-pyridyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(nc1)NS(=O)(=O)c2c(c(cc(c2C)C)C)C
InChi [?]:
InChI=1/C16H20N2O2S/c1-10-6-7-15(17-9-10)18-21(19,20)16-13(4)11(2)8-12(3)14(16)5/h6-9H,1-5H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,21,3,4,15,7,2,16,14,17,13,5,12,6,8,10,11,9/E:(2,3)(4,5)(11,12)(13,14)(19,20)/CRV:21.6/rA:21nCCCCCNCNSOOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s16;s14;s13;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.21055 |
Area: | 464.494 |
Solvation: | -2.40179 |
Coulombic: | -17.2694 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 304.408 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.74 |
LogP (Chemaxon): | 3.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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