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Chemical ID: 6388137
Chemical ID:
6388137
Name [?]:
4-methoxy-N-[4-(p-tolyl)thiazol-2-yl]-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NS(=O)(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C17H16N2O3S2/c1-12-3-5-13(6-4-12)16-11-23-17(18-16)19-24(20,21)15-9-7-14(22-2)8-10-15/h3-11H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,24,3,7,4,6,19,21,18,22,9,2,5,20,17,8,11,12,13,15,16,23,10,14/E:(3,4)(5,6)(7,8)(9,10)(20,21)/CRV:24.6/rA:24nCCCCCCCCCSCNNSOOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;d14;s14;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2O3S2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.006 |
Area: | 542.047 |
Solvation: | -3.54518 |
Coulombic: | -26.6329 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 360.453 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.9 |
LogP (Chemaxon): | 1.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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