Chemical ID: 7027156

CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)NN=Cc3cccc(c3)Cl
Chemical ID:
7027156
Name [?]:
4-[2-[(3-chlorophenyl)methyleneaminoamino]thiazol-4-yl]-N,N-diethyl-benzenesulfonamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)NN=Cc3cccc(c3)Cl
InChi [?]:
InChI=1/C20H21ClN4O2S2/c1-3-25(4-2)29(26,27)18-10-8-16(9-11-18)19-14-28-20(23-19)24-22-13-15-6-5-7-17(21)12-15/h5-14H,3-4H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,25,24,26,11,13,10,14,28,22,16,23,12,27,9,15,18,29,21,19,20,3,7,8,17,6/E:(1,2)(3,4)(8,9)(10,11)(26,27)/CRV:29.6/rA:29nCCNCCSOOCCCCCCCCSCNNNCCCCCCCCl/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;d15;s16;s17;s15d18;s18;s20;w21;s22;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21ClN4O2S2
All Atoms:50
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.6282
Area:682.114
Solvation:-3.4246
Coulombic:-25.5222
Bond Count [?]
All:31
Single:20
Double:11
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:448.991
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.73
LogP (Chemaxon):5.48

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Descriptor Annotations

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