Chemical ID: 4410409

Cc1cc(c(cc1C)S(=O)(=O)Nc2ccccn2)C
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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