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Chemical ID: 4410409
Chemical ID:
4410409
Name [?]:
2,4,5-trimethyl-N-(2-pyridyl)benzenesulfonamide
SMILES [?]:
Cc1cc(c(cc1C)S(=O)(=O)Nc2ccccn2)C
InChi [?]:
InChI=1/C14H16N2O2S/c1-10-8-12(3)13(9-11(10)2)19(17,18)16-14-6-4-5-7-15-14/h4-9H,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,8,19,15,16,14,17,3,6,2,7,4,5,13,18,12,10,11,9/E:(17,18)/CRV:19.6/rA:19nCCCCCCCCSOONCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.36127 |
Area: | 438.401 |
Solvation: | -2.59874 |
Coulombic: | -17.1787 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 276.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.29 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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