Chemical ID: 4408104

Cc1cc(c(cc1C)S(=O)(=O)Nc2ccncc2)C
Chemical ID:
4408104
Name [?]:
2,4,5-trimethyl-N-(4-pyridyl)benzenesulfonamide
SMILES [?]:
Cc1cc(c(cc1C)S(=O)(=O)Nc2ccncc2)C
InChi [?]:
InChI=1/C14H16N2O2S/c1-10-8-12(3)14(9-11(10)2)19(17,18)16-13-4-6-15-7-5-13/h4-9H,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,8,19,14,18,15,17,3,6,2,7,4,13,5,16,12,10,11,9/E:(4,5)(6,7)(17,18)/CRV:19.6/rA:19nCCCCCCCCSOONCCCNCCC/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:8.68659
Area:439.307
Solvation:-2.29608
Coulombic:-16.7094
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:2.56
LogP (Chemaxon):0.64

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