Chemical ID: 7027249

CCc1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)S(=O)(=O)N(C)C
Chemical ID:
7027249
Name [?]:
4-[2-[(4-ethylphenyl)methyleneaminoamino]thiazol-4-yl]-N,N-dimethyl-benzenesulfonamide
SMILES [?]:
CCc1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)S(=O)(=O)N(C)C
InChi [?]:
InChI=1/C20H22N4O2S2/c1-4-15-5-7-16(8-6-15)13-21-23-20-22-19(14-27-20)17-9-11-18(12-10-17)28(25,26)24(2)3/h5-14H,4H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,27,28,2,4,8,5,7,18,22,19,21,9,15,3,6,17,20,14,12,10,13,11,26,24,25,16,23/E:(2,3)(5,6)(7,8)(9,10)(11,12)(25,26)/CRV:28.6/rA:28nCCCCCCCCCNNCNCCSCCCCCCSOONCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;d23;d23;s23;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N4O2S2
All Atoms:50
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.8617
Area:649.167
Solvation:-3.36745
Coulombic:-25.1067
Bond Count [?]
All:30
Single:19
Double:11
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:414.546
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.17
LogP (Chemaxon):5.14

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue